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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,765 records · Page 98
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Stitching interferometry for ellipsoidal x-ray mirrors

Ellipsoidal mirrors, which can efficiently produce a two-dimensional focusing beam with a single mirror, are superior x-ray focusing optics, especially when compared to elliptical-cylinder mirrors in the Kirkpatrick–Baez geometry. However, nano-focusing ellipsoidal mirrors are not commonly used for x-ray optics because achieving the accuracy required for the surface metrology of nano-focusing ellipsoidal mirrors is difficult due to their small radius of curvature along the short ellipsoidal axis. Here, we developed a surface metrology system for nano-focusing ellipsoidal mirrors using stitching interferometric techniques. The developed system simultaneously measures sub-aperture shapes with a microscopic interferometer and the tilt angles of the sub-aperture shapes with a large Fizeau interferometer. After correcting the systematic errors included in the sub-aperture shapes, the entire mirror shape is calculated by stitching the sub-aperture shapes based on the obtained relative angles between partially overlapped sub-apertures. In this study, we developed correction methods for systematic errors in sub-aperture shapes that originated from off-axis aberrations produced in the optics of the microscopic interferometer. The systematic errors on an ellipsoidal mirror were estimated by measuring a series of tilted plane substrates and the ellipsoidal substrate. From measurements of an ellipsoidal mirror with a 3.6-mm radius of curvature at the mirror center, we obtained a measurement repeatability of 0.51 nm (root-mean-square) in an assessment area of 0.5 mm × 99.18 mm. This value satisfies the requirements for surface metrology of nano-focusing x-ray mirrors. Thus, the developed metrology system should be applicable for fabricating nano-focusing ellipsoidal mirrors.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Identification of Brillouin Zones by In-Plane Lasing from Light-Cone Surface Lattice Resonances

Periodic optical structures can control the flow of light, which has facilitated applications in optical fibers, laser cavities, and biochemical sensors. The first Brillouin zone (BZ) in reciprocal space can describe all the electromagnetic fields localized inside a photonic lattice. However, photonic lattices also exhibit radiative losses from light scattering, but the radiated fields are not captured by the first BZ. In a two-dimensional lattice, the in-plane wavevectors of photonic modes are limited by the so-called light cone, which depicts free-photon dispersion relations in the surrounding medium. Here we show that projection of the light cone on extended BZs provides a geometric method to observe radiated electromagnetic fields of photonic lattice modes. We developed a coupled dipole radiation theory to reveal how lattice geometry and dipole orientation affect the angular distributions of the radiated fields. Using dye molecules as local dipole emitters to excite and probe the optical modes, we experimentally identified high-order BZ edges through directional, in-plane lasing emission.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1975

ATS-6 - Cesium bombardment engine north-south stationkeeping experiment

Two 0.004 N thrust cesium bombardment ion thrustors have been developed and used for north-south stationkeeping in the geostationary Applications Technology Satellite-6 (ATS-6). The thrustor subsystems are mounted on the north and south faces of the earth viewing module such that 0.0026 N of thrust is applied normal to the orbit plane and 0.0036 N is applied radially upward. The change in the orbit inclination of the satellite is maintained at zero by operating the two thrustors alternately so that their thrust components, normal to the orbital plane, are symmetrically applied about the nodal crossings. Initial operation of the thrustors was successful. There was no interference with the satellite communications systems and the predicted spacecraft operating potential was verified. Subsequent trials failed due to a defect in the operation of the propellant reservoirs in zero g. A feed line valve is under development to correct this difficulty.

Worlock, R. M.↗
DOE OSTI2015

SU-E-T-225: Correction Matrix for PinPoint Ionization Chamber for Dosimetric Measurements in the Newly Released Incise™ Multileaf Collimator Shaped Small Field for CyberKnife M6™ Machine

Purpose: For small field dosimetry, such as measurements of output factors for cones or MLC-shaped irregular small fields, ion chambers often Result in an underestimation of the dose, due to both the volume averaging effect and the lack of lateral charged particle equilibrium. This work presents a mathematical model for correction matrix for a PTW PinPoint ionization chamber for dosimetric measurements made in the newly released Incise™ Multileaf collimator fields of the CyberKnife M6™ machine. Methods: A correction matrix for a PTW 0.015cc PinPoint ionization chamber was developed by modeling its 3D dose response in twelve cone-shaped circular fields created using the 5mm, 7.5mm, 10mm, 12.5mm, 15mm, 20mm, 25mm, 30mm, 35mm, 40mm, 50mm, 60mm cones in a CyberKnife M6™ machine. For each field size, hundreds of readings were recorded for every 2mm chamber shift in the horizontal plane. The contribution of each dose pixel to a measurement point depended on the radial distance and the angle to the chamber axis. These readings were then compared with the theoretical dose as obtained with Monte Carlo calculation. A penalized least-square optimization algorithm was developed to generate the correction matrix. After the parameter fitting, the mathematical model was validated for MLC-shaped irregular fields. Results: The optimization algorithm used for parameter fitting was stable and the resulted response factors were smooth in spatial domain. After correction with the mathematical model, the chamber reading matched with the calculation for all the tested fields to within 2%. Conclusion: A novel mathematical model has been developed for PinPoint chamber for dosimetric measurements in small MLC-shaped irregular fields. The correction matrix is dependent on detector, treatment unit and the geometry of setup. The model can be applied to non-standard composite fields and provides an access to IMRT point dose validation.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1989

Radar transponder antenna pattern analysis for the space shuttle

In order to improve tracking capability, radar transponder antennas will soon be mounted on the Shuttle solid rocket boosters (SRB). These four antennas, each being identical cavity-backed helices operating at 5.765 GHz, will be mounted near the top of the SRB's, adjacent to the intertank portion of the external tank. The purpose is to calculate the roll-plane pattern (the plane perpendicular to the SRB axes and containing the antennas) in the presence of this complex electromagnetic environment. The large electrical size of this problem mandates an optical (asymptotic) approach. Development of a specific code for this application is beyond the scope of a summer fellowship; thus a general purpose code, the Numerical Electromagnetics Code - Basic Scattering Code, was chosen as the computational tool. This code is based on the modern Geometrical Theory of Diffraction, and allows computation of scattering of bodies composed of canonical problems such as plates and elliptic cylinders. Apertures mounted on a curved surface (the SRB) cannot be accomplished by the code, so an antenna model consisting of wires excited by a method of moments current input was devised that approximated the actual performance of the antennas. The improvised antenna model matched well with measurements taken at the MSFC range. The SRB's, the external tank, and the shuttle nose were modeled as circular cylinders, and the code was able to produce what is thought to be a reasonable roll-plane pattern.

Radcliff, Roger↗
DOE OSTI2021

An efficient computational framework for charge density estimation in twisted bilayer graphene

Electronic properties such as band structure and Fermi velocity in low-angle twisted bilayer graphene (TBG) are intrinsically dependent on the atomic structure. Rigid rotation between individual graphene layers provides an approximate description of the bilayer symmetry. Upon relaxation, in-plane displacement of the atoms in low angle TBG causes a change in the symmetry through the enlargement of the AB stacking regions and the reduction in size of AA and SP stacking regions. However, the effect of this in-plane relaxation on the charge density remains unexplored, because the necessary electronic structure calculations of such large supercells of low twist angle TBG are computationally infeasible. Therefore, we develop a computationally efficient framework that enables the exploration of the charge density symmetry of the low twist angle TBG. This framework is based on the Fourier representation of the charge density which presents high intensity Bragg peaks. Here we find that with the decrease of twist angle, low intensity satellite peaks also become apparent. Our framework incorporates these satellite peaks which reveals transformation of symmetry in the charge density distribution from high to low twist angle TBG. One striking outcome is the demonstration of the electron localization in the AA region of low twist angle TBG. Our framework helps to explain the effect of the atomistic relaxation on the charge density distribution and thus, it provides information about exotic electronic properties of low twist angle TBG at a low computational expense.

36 MATERIALS SCIENCE↗
DOE OSTI2024

The derivation of CRSS in pure Ti and Ti-Al alloys

The work focuses on the determination of the critical resolved shear stress (CRSS) in titanium (Ti) and titanium-aluminum (Ti-Al) alloys, influenced by an array of factors such as non-symmetric fault energies and minimum energy paths, dislocation core-widths, short-range order (SRO) effects which alter the local atomic environment, and tension-compression (T-C) asymmetry affected by intermittent slip motion. To address these multifaceted complexities, an advanced theory has been developed, offering an in-depth understanding of the mechanisms underlying slip behavior. The active slip systems in these materials are basal, prismatic, and pyramidal planes, with the latter involving both $\langle$a$\rangle$ and $\langle$c + a$\rangle$ dislocations. Each slip system is characterized by distinct Wigner-Seitz cell configurations for misfit energy calculations, varying partial dislocation separation distances, and unique dislocation trajectories—all critical to precise CRSS calculations. The theoretical CRSS results were validated against a comprehensive range of experimental data, demonstrating a strong agreement and underscoring the model's efficacy.

Critical stress↗
DOE OSTI2017

Atomic Insight into the Layered/Spinel Phase Transformation in Charged LiNi 0.80 Co 0.15 Al 0.05 O 2 Cathode Particles

Layered LiNi 0.80 Co 0.15 Al 0.05 O 2 (NCA) holds great promise as a potential cathode material for high energy density lithium ion batteries. However, its high capacity is heavily dependent on the stability of its layered structure, which suffers from a severe structure degradation resulting from a not fully understood layered → spinel phase transformation. Using high-resolution transmission electron microscopy and electron diffraction, we probe the atomic structure evolution induced by the layered → spinel phase transformation in the NCA cathode. We show that the phase transformation results in the development of a particle structure with the formation of complete spinel, spinel domains, and intermediate spinel from the surface to the subsurface region. The lattice planes of the complete and intermediate spinel phases are highly interwoven in the subsurface region. The layered → spinel transformation occurs via the migration of transition metal (TM) atoms from the TM layer into the lithium layer. Incomplete migration leads to the formation of the intermediate spinel phase, which is featured by tetrahedral occupancy of TM cations in the lithium layer. Finally, the crystallographic structure of the intermediate spinel is discussed and verified by the simulation of electron diffraction patterns.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Vertically Aligned MoS 2 /Mo 2 C hybrid Nanosheets Grown on Carbon Paper for Efficient Electrocatalytic Hydrogen Evolution

Maximizing and creating active sites has been a broad strategy to increase the performance of a catalyst. Because of the high electrocatalytic hydrogen evolution reactivity (HER) of ultrafine Mo 2 C nanocrystals and edges of two-dimensional MoS 2 , an electrode with a synergistic integration of these two nanomaterials is expected to show a better HER performance. In this work we report this hybrid nanostructure of vertically aligned MoS 2 /Mo 2 C nanosheets on conductive carbon paper. It was revealed that the original structure of MoS 2 nanosheets remains intact after the carburization, but the surfaces are incorporated with either Mo 2 C nanodomains or a heteroatomic mixture of S and C. The hybrid catalyst exhibits a much lower HER overpotential in comparison to those of the corresponding Mo 2 C and MoS 2 alone. Its high activity is congruent with DFT calculations, which show that multiple S and C coordinated Mo sites with near zero Gibbs free energy of hydrogen adsorption exist. Hence, the low overpotential of this binder-free hybrid catalyst is a result of active sites of Mo–S–C and highly dispersed Mo 2 C nanodomains on the original edges and basal planes of MoS 2 . Our prediction and realization of active HER sites with this hybrid two-dimensional nanostructure opens up a route toward the development of more active HER catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Impacts of Sub‐Grid Topographic Representations on Surface Energy Balance and Boundary Conditions in the E3SM Land Model: A Case Study in Sierra Nevada

Abstract Sub‐grid topographic heterogeneity has large impacts on surface energy balance and land‐atmosphere interactions. However, the impacts of representing sub‐grid topographic effects in land surface models (LSMs) on surface energy balance and boundary conditions remain unclear. This study analyzed and evaluated the impacts of sub‐grid topographic representations on surface energy balance, turbulent heat flux, and scalar (co‐)variances in the Energy Exascale Earth System Model (E3SM) land model (ELM). Three sub‐grid topographic representations in ELM were compared: (a) the default sub‐grid structure (D), (b) the recently developed sub‐grid topographic structure (T), and (c) high spatial resolution (1KM). Additionally, two different solar radiation schemes in ELM were compared: (a) the default plane‐parallel radiative transfer scheme (PP) and (b) the parameterization scheme (TOP) that accounts for sub‐grid topographic effects on solar radiation. A series of offline simulations with the three grid discretization structures (D, T, and 1KM) and two schemes of solar radiation (TOP and PP) were carried out using the Sierra Nevada, California. 1KM simulations with TOP well capture the spatial heterogeneity of surface fluxes compared to Moderate Resolution Imaging Spectroradiometer remote sensing data. There are significant differences between TOP and PP in the 1‐km simulated surface energy balance, but the differences in mean values and standard deviations become small when aggregated to the grid scale (i.e., 0.5°). The T configuration better mimics the 1KM simulations with TOP than the D configuration and better captures the sub‐grid topographic effects on surface energy balance and boundary conditions. These results underline the importance of representing sub‐grid topographic heterogeneities in LSMs and motivate future research to understand the sub‐grid topographic effects on land‐atmosphere interactions over mountainous areas.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2015

Self-assembled nanoparticle aggregates: Organizing disorder for high performance surface-enhanced spectroscopy

The coherent oscillations of the surface electron gas, known as surface plasmons, in metal nanostructures can give rise to the localization of intense electromagnetic fields at the metal-dielectric interface. These strong fields are exploited in surface enhanced spectroscopies, such as Surface Enhanced Raman Scattering (SERS), for the detection and characterization of molecules at very low concentration. Still, the implementation of SERS-based biosensors requires a high level of reproducibility, combined with cheap and simple fabrication methods. For this purpose, SERS substrates based on self-assembled aggregates of commercial metallic nanoparticles (Nps) can meet all the above requests. Following this line, we report on a combined micro-Raman and Atomic Force Microscopy (AFM) analysis of the SERS efficiency of micrometric silver Np aggregates (enhancement factors up to 10{sup 9}) obtained by self-assembly. Despite the intrinsic disordered nature of these Np clusters, we were able to sort out some general rules relating the specific aggregate morphology to its plasmonic response. We found strong evidences of cooperative effects among the NPs within the cluster and namely a clear dependence of the SERS-efficiency on both the cluster area (basically linear) and the number of stacked NPs layers. A cooperative action among the superimposed layers has been proved also by electromagnetic simulations performed on simplified nanostructures consisting of stacking planes of ordered Nps. Being clear the potentialities of these disordered self-assembled clusters, in terms of both easy fabrication and signal enhancement, we developed a specific nanofabrication protocol, based on electron beam lithography and molecular functionalization, that allowed for a fine control of the Np assemblies into designed shapes fixing their area and height. In particular, we fabricated 2D ordered arrays of disordered clusters choosing gold Nps owing to their high stability. AFM measurements confirmed the regularity in spacing and size (i.e. area and layer number) of the aggregates. Preliminary SERS measurements confirm the high signal enhancement and demonstrate a quite good reproducibility over large number of aggregates within 100×100 μm{sup 2} 2D super-structure. The availability of such a multisensor could allow a careful statistical analysis of the SERS response, thus leading to a reliable quantitative estimate of the presence of relevant molecular species even at ultra-low concentration.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

A new generation of x-ray spectrometry UHV instruments at the SR facilities BESSY II, ELETTRA and SOLEIL

A novel type of ultra-high vacuum instrument for X-ray reflectometry and spectrometry-related techniques for nanoanalytics by means of synchrotron radiation (SR) has been constructed and commissioned at BESSY II. This versa-tile instrument was developed by the PTB, Germany’s national metrology institute, and includes a 9-axis manipulator that allows for an independent alignment of the samples with respect to all degrees of freedom. In addition, it integrates a rotational and translational movement of several photodiodes as well as a translational movement of a beam-geometry-defining aperture system. Thus, the new instrument enables various analytical techniques based on energy dispersive X-ray detectors such as reference-free X-Ray Fluorescence (XRF) analysis, total-reflection XRF, grazing-incidence XRF, in addition to optional X-Ray Reflectometry (XRR) measurements or polarization-dependent X-ray absorption fine structure analyses (XAFS). Samples having a size of up to (100 × 100) mm{sup 2}; can be analyzed with respect to their mass deposition, elemental, spatial or species composition. Surface contamination, nanolayer composition and thickness, depth pro-file of matrix elements or implants, nanoparticles or buried interfaces as well as molecular orientation of bonds can be accessed. Three technology transfer projects of adapted instruments have enhanced X-Ray Spectrometry (XRS) research activities within Europe at the synchrotron radiation facilities ELETTRA (IAEA) and SOLEIL (CEA/LNE-LNHB) as well as at the X-ray innovation laboratory BLiX (TU Berlin) where different laboratory sources are used. Here, smaller chamber requirements led PTB in cooperation with TU Berlin to develop a modified instrument equipped with a 7-axis manipulator: reduced freedom in the choice of experimental geometry modifications (absence of out-of-SR-plane and reference-free XRS options) has been compensated by encoder-enhanced angular accuracy for GIXRF and XRR.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Bulk dissipation in the quantum anomalous Hall effect

Even at the lowest accessible temperatures, measurements of the quantum anomalous Hall (QAH) effect have indicated the presence of parasitic dissipative conduction channels. There is no consensus whether parasitic conduction is related to processes in the bulk or along the edges. Here, we approach this problem by comparing transport measurements of Hall bar and Corbino geometry devices fabricated from Cr-doped (BiSb) 2 Te 3 . We identify bulk conduction as the dominant source of dissipation at all values of temperature and in-plane electric field. Furthermore, we observe identical breakdown phenomenology in both geometries, indicating that breakdown of the QAH phase is a bulk process. The methodology developed in this study could be used to identify dissipative conduction mechanisms in new QAH materials, ultimately guiding material development towards realization of the QAH effect at higher temperatures

36 MATERIALS SCIENCE↗
DOE OSTI2025

Development and preliminary results of 270 GHz microwave forward scattering diagnostic system on the experimental advanced superconducting tokamak (EAST)

To measure localized (intermediate, high) poloidal wavenumber electron density fluctuations, a tangential millimeter-wave collective scattering system has been designed and successfully developed on the experimental advanced superconducting tokamak (EAST). This innovative system employs a 270 GHz mm-wave probe beam, emitted from the mid-plane of Port K and directed towards Port P after passing through a combination of two in-vessel mirrors. Here these two ports are located on the EAST device’s midplane and are 110° apart. The downward scattered signals pass through two in-vessel mirrors, and exit through the P window. The received multi-channel separated scattering signals are arranged along the poloidal direction. This optical arrangement makes the monitored turbulent wave number is poloidal dominant and up to 40 cm −1 . The tangential microwave scattering scheme enables this diagnostic to monitor local density fluctuations, with typically a radial spatial resolution △ R = 5 cm, and a wavenumber resolution of △ k = 0.4 cm −1 . The scattering system underwent comprehensive laboratory testing in 2023, with installation finalized in 2024. The system features steerable launch and receiver optics, allowing remote control to position the scattering volume from normalized radius ρ –0 to the pedestal region on a shot-by-shot basis. Effective experimental data, characterized by distinct off-center spectral peaks, have been successfully obtained in neutral beam-heated plasmas on EAST. The beam tracing forward modeling has been employed for experimental data interpretation. The advanced millimeter-wave scattering system provides fluctuation measurement capability from ion temperature gradient to electron temperature gradient scale on low field side. Preliminary experimental density fluctuation data have been successfully obtained in neutral beam-heated plasmas on EAST. The localized measurement will be used for kinetic turbulence transport numerical simulation validation.

high-k collective scattering↗
DOE OSTI2015

Magnetic field induced anisotropy of 139 La spin-lattice relaxation rates in stripe ordered La 1.875 Ba 0.125 CuO 4

We report 139 La nuclear magnetic resonance studies performed on a La 1.875 Ba 0.125 CuO 4 single crystal. The data show that the structural phase transitions (high-temperature tetragonal → low-temperature orthorhombic → low-temperature tetragonal phase) are of the displacive type in this material. The 139 La spin-lattice relaxation rate T –1 1 sharply upturns at the charge-ordering temperature T CO = 54 K, indicating that charge order triggers the slowing down of spin fluctuations. Detailed temperature and field dependencies of the T –1 1 below the spin-ordering temperature T SO =40 K reveal the development of enhanced spin fluctuations in the spin-ordered state for H ∥ [001], which are completely suppressed for large fields along the CuO 2 planes. Lastly, our results shed light on the unusual spin fluctuations in the charge and spin stripe ordered lanthanum cuprates.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Conductive Adhesives for Metallization of Interdigitated Back Contact Solar Cells

The metallization and interconnection of Si solar cells to form a module is usually a multi-step process: cells are metallized individually, soldered into strings, and subsequently assembled into a module. Furthermore, the metallization process for individual cells must be compatible with the doped surfaces being contacted, which creates additional challenges when moving from diffused junctions to heterojunctions and/or passivated contact structures. To mitigate these problems and streamline module manufacturing for the case of interdigitated back contact (IBC) cell modules, we developed an approach wherein unmetallized IBC cells are bonded directly to a circuitized backsheet using a conductive adhesive (CA) that only conducts out-of-plane. The metal/CA/silicon stack is bonded by hot-pressing at 100-200 degrees C.For a CA consisting of ethylene vinyl acetate (EVA) filled with Ag-coated spheres or indium powder we find that contact resistivities in the range of 1-10 Wcm 2 are obtained, regardless of which conductive filler and which hot pressing parameters are used. XPS revealed that about 1-2 nm EVA residue bonds to the Si in these samples, suggesting the formation of an insulating barrier that is responsible for the high contact resistance. Using indium powder alone, improved contact resistivities <0.6 Wcm 2 , high shunt resistances, and an implied open-circuit voltage loss below 10 mV were obtained. Furthermore, a cost estimate is presented, indicating that substantial cost savings of up to $10/m 2 , or about $0.05/W DC , are possible through CA-based IBC module manufacturing.

14 SOLAR ENERGY↗
DOE OSTI2023

Controlling Molecular Structure and Spin with Multiconfigurational Quantum Chemistry (Final Technical Report)

For many first-row transition metal complexes, structure-property relationships can be obtained from high-level molecular geometry optimizations and subsequent electronic structure studies. The project funded under this award utilized newly implemented fully internally contracted (FIC) nuclear gradients for extended multi-state (XMS) complete active space second-order multireference perturbation theory (CASPT2) to explore geometry changes in first-row transition metal coordination complexes. At the start of the project, only one full geometry optimization using FIC-CASPT2 analytical gradients had been reported (J. Chem. Theory Comput., 2016, 12 (8), 3781), and many open-questions regarding the performance and achievable accuracy in applying such computations to larger complexes persisted. Key deliverables in the report include the implementation of the numerical Hessian and subsequent vibrational analysis in the BAGEL program package. This includes both full Hessian vibrational analysis (FHVA) and a partial Hessian vibrational analysis (PHVA). The latter of which allows us to reduce the significant cost of computing the vibrational frequencies in a large molecule by focusing on the modes of highest interest. The gradient code also proved useful in the development of an approach to improve the Hubbard-U correction by removing bias in predicting spin-splitting in Fe(II) complexes via plane-wave density functional theory (DFT). Finally, we showed for three families of complexes (spin-crossover (SCO) complexes, metallocorroles complexes, and those with metal-metal bonds) that CASPT2 can result in good molecular geometries and established best practices in undertaking this work. We are now using this approach in collaborative projects with experimental groups, which would not have been possible at the start of this project. A common theme also arose through this work that static and dynamic correlation must be recovered in a balanced way to yield quantitative results. By systematically varying how both effects were included, we were able to make key chemical insights. This work supported the training of two postdoctoral scholars, one graduate student, and one undergraduate student in applying high-level wavefunction based methods to challenging systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗