Sum rules for variational wavefunctions.
Sum rule properties of finite set of wave functions obtained from application of variational principles to basis functions linear combinations
Dalgarno, A.↗
SEARCH · Search NASA
Results for “Wave function”
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.
Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.
Franck-Condon factors for band systems of molecular hydrogen. I.
Franck-Condon factors for band systems of molecular hydrogen, computing wave functions for vibrational levels using potential energy function, Part I
Spindler, R. J., Jr.↗
Franck-Condon factors for band systems of molecular hydrogen. II.
Franck-Condon factors for band systems of molecular hydrogen, computing wave functions for vibrational levels using potential energy function, Part II
Spindler, R. J., Jr.↗
E2 transition rates for super 20 Ne.
Upper bounds for electromagnetic transition rates for Ne 20 determined using Hartree-Fock wave functions
Braley, R. C.↗
Franck-Condon factors for band systems of molecular hydrogen. III.
Franck-Condon factors for band systems of molecular hydrogen, computing wave functions for each electronic state by numerical solutions of radial Schroedinger equation
Spindler, R. J., Jr.↗
Nonorthogonal natural orbitals from open-shell configuration-interaction calculations.
Natural orbitals calculated from spin free one density matrix of open shell limited configuration-interaction wave function constructed from nonorthogonal basis
Heaton, M.↗
First- and second-order density matrices of symmetry-projected single-determinant wavefunctions.
Density matrices of symmetry projected single determinant wave functions for finite groups, considering many particle system
Harriman, J. E.↗
Microscopic coupled channel study of inelastic proton scattering from Ne 20
Projected Hartree-Fock wave function analysis of inelastic proton scattering from neon-20
Ascuitto, R. J.↗
First-order wavefunctions, orbital correlation energies, and electron affinities of first-row atoms
First order wave functions orbital correlation energies and electron affinities of first row atoms for low lying electronic states of B, C, N, O, F and Ne
Harris, F. E.↗
Formal Rayleigh-Schroedinger perturbation theory for both degenerate and non-degenerate energy states
Degenerate and nondegenerate energy states and wave functions formulated by Rayleigh- Schroedinger perturbation theory
Hirschfelder, J. O.↗
Neutron beta decay in a strong magnetic field
Neutron beta decay in strong quantizing magnetic field using Dirac wave function for electron, noting lifetime dependence on field strength
Fassio-Canuto, L.↗
Generalized oscillator strengths for helium in the ionized continuum
Born approximation used in calculating wave functions of helium atom for determining generalized oscillator strengths in first ionized continuum of helium
Oldham, W. J. B., Jr.↗
Photoionization cross sections of nitrogen, oxygen, carbon and argon for the Slater-Klein-Brueckner potential
Radial wave functions and photoionization cross sections for neutral atoms from central potential model based on Slater and Klein-Brueckner approximations
Helliwell, T. M.↗
Minimum basis wavefunctions for water
Molecular orbital wave functions for water molecule, using minimum set of Slater orbitals
Merrifield, D. P.↗
Theoretical study of the 1 sigma plus, 3 sigma plus, 3 pi, 1 pi states of NaLi and the 2 sigma plus state of NaLi/plus/
NaLi molecular and ionic electronic states, discussing valence formulation, Hartree-Fock calculations, wave functions, excited state potential, etc
Bertoncini, P. J.↗
Inclusion of higher-state couplings in a multi- state impact-parameter treatment of heavy- particle collisions
Multistate impact parameter treatment of heavy particle collisions modified to include higher state couplings for electronic wave functions
Flannery, M. R.↗
Microscopic coupled-channel study of inelastic proton scattering from Ne 20
Coupled channel calculation of inelastic proton scattering from Ne 20 using Hartree-Fock wave functions
Ascuitto, R. J.↗
Electronic wavefunctions for atoms. III
Electronic wave functions for atoms from atomic configuration-interaction /CI/ expansion for open shell states
Bunge, A.↗