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Spin-projected and extended SCF calculations.
Spin restricted, unrestricted, projected unrestricted and extended SCF wave functions energies compared, discussing calculation method for spin extended SCF functions
Second-order density matrix for a spin- projected single determinant.
Irreducible tensorial components of two-electron operator and second-order density matrix for spin- projected single-determinantal wave function
Spin projection of single-determinant wavefunctions
The components of the one- and two-particle density matrices resulting from spin projection of a single-determinant wave function are rederived by the method of expansion in terms of the natural orbitals of charge density, and the results are found to diverge from those given by Harriman and Sando for the two-particle case. The theory is generalized to include molecules with unequal numbers of electrons and basis orbitals and is applied to a number of organic molecules and ions. The correctness and internal consistency of the results argue in favor of the modification described.
Approximate spin projection of three-component UHF wavefunctions - The states of the pentachlorocyclopentadienyl cation and the croconate dianion, C5O5/2-/
The approximate spin projection method of Amos et al. is extended to handle UHF wave functions having three significant components of differing multiplicity. An expression is given for the energy after single annihilation which differs from that of Amos and Hall. The new expression reproduces the results obtained from a previous exact calculation for which the weights and energies of the components are known. The extended approximate projection method is applied to the pi-electron UHF wave functions for the ground states of the pentachlorocyclopentadienyl cation and the croconate dianion, C5O5(2-). The results indicate a triplet ground state for the former and a singlet ground state for the latter, in agreement with experimental ESR susceptibility measurements for these molecular ions. C5C15(-) cannont be treated by restricted Hartree-Fock theory, due to its open-shell ground state. Incorrect results are obtained for the croconate dianion, if restricted Hartree-Fock theory and singly excited configuration interactions are utilized.
MU-SPIN Project Update
The Minority University Space Interdisciplinary (MUSPIN) Network project is a comprehensive outreach and education initiative that focuses on the transfer of advanced computer networking technologies and relevant science to Historically Black Colleges and Universities (HBCU's) and Other Minority Universities (OMU's) for supporting multi-disciplinary education research.
The use of projection in SCF spin density calculations.
Spin-projected unrestricted self-consistent field /SCF/ methods for spin density calculations used to determine hyperfine coupling constants
Development and application of a star-mapping technique to the attitude determination of the spin-stabilized Project Scanner spacecraft
Spin stabilized Project Scanner spacecraft attitude determination by star mapping technique, describing optics, photomultiplier, reticle, electronics and sun shield
Attitude determination of the spin-stabilized Project Scanner spacecraft
Attitude determination of spin-stabilized spacecraft using star mapping technique
The EBLM project – VII. Spin–orbit alignment for the circumbinary planet host EBLM J0608-59 A/TOI-1338 A
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Observation of Gravitational Waves from Two Neutron Star-Black Hole Coalescences
We report the observation of gravitational waves from two compact binary coalescences in LIGO's and Virgo's third observing run with properties consistent with neutron star-black hole (NSBH) binaries. The two events are named GW200105_162426 and GW200115_042309, abbreviated as GW200105 and GW200115; the first was observed by LIGO Livingston and Virgo, and the second by all three LIGO-Virgo detectors. The source of GW200105 has component masses 8.9(exp +1.2/-1.5) M⨀ and 1.9(exp +0.3/-0.2) M⨀, whereas the source of GW200115 has component masses 5.7(exp +1.8/-2.1) M⨀ and 1.5(exp +0.7/-0.3) M⨀ (all measurements quoted at the 90% credible level). The probability that the secondary's mass is below the maximal mass of a neutron star is 89%-96% and 87%-98%, respectively, for GW200105 and GW200115, with the ranges arising from different astrophysical assumptions. The source luminosity distances are 280(exp +110/-110) Mpc and 300(+150/-100) Mpc, respectively. The magnitude of the primary spin of GW200105 is less than 0.23 at the 90% credible level, and its orientation is unconstrained. For GW200115, the primary spin has a negative spin projection onto the orbital angular momentum at 88% probability. We are unable to constrain the spin or tidal deformation of the secondary component for either event. We infer an NSBH merger rate density of 45(exp +75/-33) Gpc(exp -3) yr(exp -1) when assuming that GW200105 and GW200115 are representative of the NSBH population, or 130(+112/-69) Gpc(exp -3) yr(exp -1) under the assumption of a broader distribution of component masses.
Half-projected Hartree-Fock calculations on several small molecules
The half-projected Hartree-Fock (HPHF) method is examined with respect to its ability to obtain molecular correlation, describe molecular potential energy surfaces, and provide a one-particle basis for more elaborate treatments. The equivalence, aside from questions of efficiency, of two different HPHF algorithms is demonstrated. The results of calculations on H2O, C2, N2, and CH2 indicate that the performance of the HPHF method, with spin projection in appropriate cases, is roughly equivalent to limited MCSCF treatments. In particular, a small but important fraction of the correlation energy, qualitatively correct potential energy surfaces, and good one-particle orbital bases are obtained.
Synchronous operational meteorological satellite feasibility study
Feasibility of using existing synchronous satellite technology with projected spin scan camera aboard Applications Technology Satellite
Uranus' rotational period
A modified spectroscopic technique was applied to determine the rotational period of Uranus and the orientation of the projected spin axis of the planet. The method consists in obtaining a series of spectra for both a nonrotated planet disk and for a disk rotated 180 degrees. Ignoring the effects of seeing in analyzing the spectra for no rotation of the disk leads to a lower limit on the period, and for a disk rotated 180 degrees, ignoring the seeing in the modeling of the spectra leads to an upper limit on the period. When blurring from seeing and guiding errors are added to the modeling for both image orientations and the model spectra are compared to the observations, both the period and the degree of blurring are obtained simultaneously. The results gave a period of rotation of Uranus 23 + 5 or - 2 hr.
Oblateness, radius, and mean stratospheric temperature of Neptune from the 1985 August 20 occultation
The oblateness and equatorial radius of Neptune at the 1-microbar pressure level, together with the position angle of the projected spin axis, are the goals of a general oblate atmosphere model for Neptune employing a data ensemble obtained from the occultation of a bright IR star that provided accurate measurements of the limb position at these and several other stations. The observed reduction in central flash intensity is explained by a 150-135 K temperature decrease as pressure rises from 1 to 400 microbar. Attention is given to the implications of these oblateness results for models of the Neptune interior.
Positronium formation in e+ plus H- collisions
Cross sections for positronium formation by capture from the negative hydrogen ion are given. Orthogonalization corrections to the Coulomb (First) Born Approximation (CBA) differential and total cross sections are calculated using approximate H- wave functions of both Lowdin and Chandrasekhar. Various methods of orthogonalizing the unbound projectile to the possible bound states are considered. It is found that treating the atomic nuclei as if they were isotopic spin projections of a single type of nucleon gives cross sections that are an improvement over the CBA.
Radiative widths and splitting of cyclotron lines in superstrong magnetic fields
The radiative line widths of the Landau levels in a superstrong magnetic field are calculated and simple analytic expressions and fits are given for these which are valid over a wide range of the principal quantum number and the magnetic field strength. If QED corrections are not taken into account, all levels but the first are doubly degenerate, corresponding to the two possible spin projections. However, the interaction with the QED vacuum removes this degeneracy, leading to an energy splitting of each level which exceeds the radiative linewidth for low Landau levels if the magnetic field is not too large (B is less than approximately 10 exp 13 G). Estimations are presented of the splitting in various limits as a function of field strength and Landau number. The possibility of observing this splitting in accreting X-ray pulsars and in gamma-ray bursters is discussed.
KELT-24b: A 5M(J) Planet on a 5.6 day Well-aligned Orbit around the Young V=8.3 F-star HD 93148
We present the discovery of KELT-24 b, a massive hot Jupiter orbiting a bright (V=8.3 mag, K=7.2 mag) young F-star with a period of 5.6 days. The host star, KELT-24 (HD 93148), has a Teff=-+65094950K, a mass of M*=+1.4600.0590.055Me, a radius of R*=1.506±0.022Re, and an age of +0.780.420.61Gyr. Its planetary companion (KELT-24 b) has a radius of RP=1.272±0.021RJ and a mass of MP=-+5.180.220.21MJ, and from Doppler tomographic observations, we find that the planet’s orbit is well aligned to its host star’s projected spin axis (l=-+2.63.65.1). The young age estimated for KELT-24 suggests that it only recently started to evolve from the zero-age main sequence. KELT-24 is the brightest star known to host a transiting giant planet with a period between 5 and 10 days. Although the circularization timescale is much longer than the age of the system, we do not detect a large eccentricity or significant misalignment that is expected from dynamical migration. The brightness of its host star and its moderate surface gravity make KELT-24b an intriguing target for detailed atmospheric characterization through spectroscopic emission measurements since it would bridge the current literature results that have primarily focused on lower mass hot Jupiters and a few brown dwarfs.