Spin-free quantum chemistry. III - Bond functions and the Pauling rules.
Spin-free derivation of Pauling rules for evaluating matrix elements for spin-free Hamiltonian over anti-symmetric Slater bond functions
CHEMICAL BOND↗
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Results for “HAMILTONIANS”
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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Adiabatic invariants and the ''third'' integral.
Adiabatic invariants and third integrals of motion in periodic potentials in periodically time- dependent Hamiltonian systems of n degrees of freedom
INTEGRAL↗
Perturbationlike theory without phi sub 0.
Perturbation-like theory for case when available starting wave function is not eigenfunction of unperturbed Hamiltonian
WAVE FUNCTION↗
Generalized Sternheimer potential.
Generalization of Sternheimer potential to include wave functions involving spin in nonfactorable way, exhibiting approximate Hamiltonian
QUANTUM THEORY↗
N-representability problem for fermion density matrices. II - the first-order density matrix with N even.
First-order density matrix corresponding to nondegenerate eigenstate be N-representable for time-reversal invariant Hamiltonian and quantum- mechanical system of N identical fermions
HAMILTONIAN↗
Single-particle calculations in nuclear fission.
Effective mass in nuclear deformational Hamiltonian calculated by asymptotic approximation method which is two orders of magnitude better than liquid drop model
HAMILTONIAN↗
On the Feynman integral for classical waves.
Feynman integral for classical waves evaluated, using Hamiltonian approach to summation
INTEGRAL FUNCTION↗
The D3/2 Neutron Scattering Resonance in the Shell Model of O16
Model Hamiltonian for neutron scattering resonance in shell model of molecular oxygen
NEUTRON SCATTERING↗
Research in stability of periodic motions Quarterly progress report, 5 Aug. - 4 Nov. 1966
Stability of periodic and equilibrium solutions of restricted three-body problems - measure preserving mappings, normal form of Hamiltonian, and Poincare recurrence theorem
HAMILTONIAN↗
What is H sub 0/ques/
Zero order Hamiltonian in perturbation theory for eigenvalue problems of atom in magnetic field
EIGENVALUE↗
Rigorous error bounds on position and velocity in satellite orbit theories.
Rigorous error bounds on position and velocity of satellite derived from Hamiltonian theory and von Zeipel method
HAMILTONIAN↗
Exchange model of zero-bias tunneling anomalies.
Exchange model of zero bias tunneling anomalies, discussing Hamiltonian, interference magnetic scattering and metal junctions
METAL OXIDE SEMICONDUCTOR /MOS/↗
Rigorous error bounds on position and velocity in satellite orbit theories.
Rigorous error bounds on position and velocity of satellite derived from Hamiltonian theory and von Zeipel method
ELLIPTICAL ORBIT↗
Modified long-period behavior due to tesseral harmonics.
Von Zeipel method and Hamiltonian perturbation mechanics used for orbits at resonance with tesseral harmonics of geopotential
GEOPOTENTIAL↗
The hyperfine splitting of the interaction energy of two hydrogen atoms.
Hyperfine splitting of spin interaction energy of two hydrogen atoms, determining eigenfunctions for effective Hamiltonian
HYPERFINE STRUCTURE↗
Practical Application of Asymmetric Top-Asymmetric Frame Internal Rotation Theory to Experimental Results on Ethyl and Propargyl Alcohol
The torsion-rotation spectrum of ground states ethyl and propargyl alcohol have been successfully analyzed with an asymmetric top-asymmetric frame Hamiltonian to J=60 and J=80, respectively.
Ethyl Propargyl alcohol torsion-rotation asymmetri↗
Quantum Algorithms
This thesis describes several new quantum algorithms. These include a polynomial time algorithm that uses a quantum fast Fourier transform to find eigenvalues and eigenvectors of a Hamiltonian operator, and that can be applied in cases for which all know classical algorithms require exponential time.
Quantum Algorithms polynomial time algorithm Hamil↗
The Submillimeter-Wave Spectrum of Isotopic Methyl Cyanide
The laboratory submillimeter-wave rotational spectrum of the 13 CH 3 CN, CH 3 13 CN, and the CH 3 C 15 N isotopomers of methyl cyanide has been observed in natural abundance in the 294 to 607 GHz region. The maximum J and K values are 34 an 14, respectively. Fifteen additional CH 3 CN transitions up to K=21 were also measured. The transitions of all four species are fitted to a symmetric top Hamiltonian and the rotation and distortion constants are determined. The 14 N quadropole and spin rotation are also calculated and presented. Suggested values for many other parameters which could not be directly determined from the isotope spectra are calculated from the normal species values and isotope relationships. The determined and calculated constants should predict the spectrum of the three isotopomers to well over 1 THz accurately enough for astronomical assignments.
methyl↗