Works matching IS 00207608 AND DT 1980 AND VI 18 AND IP 4

Results: 34

Self‐consistent approximation to the polarization propagator.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 4, p. 1109, doi. 10.1002/qua.560180417

By:

Weiner, Brian;
Goscinski, Osvaldo

Publication type:

Article

Simplification of an earlier MCSCF procedure for CI expansions involving orbital excitations.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 4, p. 1045, doi. 10.1002/qua.560180411

By:

Mukherjee, Nirad Gopal;
Ray, Pratip

Publication type:

Article

Stable and efficient algorithms for Xα multiple scattering calculations.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 4, p. 1091, doi. 10.1002/qua.560180415

By:

Case, David A.;
Yang, Cary Y.

Publication type:

Article

Degenerate symmetry‐adapted perturbation theory. Convergence properties of perturbation expansions for excited states of H2+ ion.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 4, p. 1071, doi. 10.1002/qua.560180414

By:

Chałasińaski, Grezegorz;
Szalewicz, Krzysztof

Publication type:

Article

Toward a very simple picture of disorder effects in one‐dimensional organic conductors.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 4, p. 1057, doi. 10.1002/qua.560180413

By:

Dugay, M.;
Roustan, J.

Publication type:

Article

Shellwise virial scaling: Approximation for atomic hole states.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 4, p. 1049, doi. 10.1002/qua.560180412

By:

Katriel, J.;
Davidson, E. R.

Publication type:

Article

On Löwdin orthogonalization.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 4, p. 1101, doi. 10.1002/qua.560180416

By:

Aiken, John G.;
Erdos, John A.;
Goldstein, Jerome A.

Publication type:

Article

Hohenberg‐Kohn theorem.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 4, p. 1029, doi. 10.1002/qua.560180409

By:

Kryachko, Eugene S.

Publication type:

Article

Permutational–symmetry‐adapted powers of representations of the point groups deduced from the unitary group.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 4, p. 1037, doi. 10.1002/qua.560180410

By:

Flurry, R. L.;
Siddall, T. H.

Publication type:

Article

Self‐consistent calculation of 1s2s1S state wave function of helium.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 4, p. 995, doi. 10.1002/qua.560180407

By:

Datta, Dilip Kumar;
Sengupta, Sankar

Publication type:

Article

Graph‐theoretical analysis of molecular properties. Isomeric variations in nonanes.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 4, p. 1005, doi. 10.1002/qua.560180408

By:

Randić, Milan;
Wilkins, Charles L.

Publication type:

Article

Hydrogenic orbitals as minimum‐basis functions for SCF calculations.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 4, p. 973, doi. 10.1002/qua.560180406

By:

Boerth, Donald W.;
Van‐Catledge, F. A.

Publication type:

Article

Transferable integrals in a deformation density approach to crystal orbital calculations. IV. Evaluation of angular integrals by a vector‐pairing method.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 4, p. 953, doi. 10.1002/qua.560180405

By:

Avery, John;
ørmen, Per‐Johan

Publication type:

Article

Effect of symmetry lowering on the band structure of polyacetylene.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 4, p. 937, doi. 10.1002/qua.560180404

By:

Morton‐Blake, D. A.

Publication type:

Article

Effect of substituents on electron energy redistribution in uracil derivatives and their ionization in polar solvents.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 4, p. 913, doi. 10.1002/qua.560180402

By:

Blagoy, Y. U. P.;
Sheina, G. G.;
Luzanov, A. V.;
Silina, L. K.;
Pedash, V. F.;
Rubin, Y. U. V.;
Leibina, E. A.

Publication type:

Article

Electron correlation and Hund's rule.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 4, p. 921, doi. 10.1002/qua.560180403

By:

Warner, J. W.;
Bartell, L. S.;
Blinder, S. M.

Publication type:

Article

Masthead.

Published in:: International Journal of Quantum Chemistry, 1980, v. 18, n. 4, p. fmi, doi. 10.1002/qua.560180401
Publication type:: Article

Permutational-symmetry-adapted powers of representations of the point groups deduced from the unitary group.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 4, p. 1037, doi. 10.1002/qua.560180410

By:

Flurry, R. L.;
Siddall, T. H.

Publication type:

Article

Electron correlation and Hund's rule.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 4, p. 921, doi. 10.1002/qua.560180403

By:

Warner, J. W.;
Bartell, L. S.;
Blinder, S. M.

Publication type:

Article

Degenerate symmetry-adapted perturbation theory. Convergence properties of perturbation expansions for excited states of H2+ ion.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 4, p. 1071, doi. 10.1002/qua.560180414

By:

Chałasińaski, Grezegorz;
Szalewicz, Krzysztof

Publication type:

Article

Self-consistent calculation of 1 s2 s1 S state wave function of helium.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 4, p. 995, doi. 10.1002/qua.560180407

By:

Datta, Dilip Kumar;
Sengupta, Sankar

Publication type:

Article

Effect of substituents on electron energy redistribution in uracil derivatives and their ionization in polar solvents.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 4, p. 913, doi. 10.1002/qua.560180402

By:

Blagoy, Y. U. P.;
Sheina, G. G.;
Luzanov, A. V.;
Silina, L. K.;
Pedash, V. F.;
Rubin, Y. U. V.;
Leibina, E. A.

Publication type:

Article

Hydrogenic orbitals as minimum-basis functions for SCF calculations.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 4, p. 973, doi. 10.1002/qua.560180406

By:

Boerth, Donald W.;
Van-Catledge, F. A.

Publication type:

Article

Toward a very simple picture of disorder effects in one-dimensional organic conductors.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 4, p. 1057, doi. 10.1002/qua.560180413

By:

Dugay, M.;
Roustan, J.

Publication type:

Article

Self-consistent approximation to the polarization propagator.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 4, p. 1109, doi. 10.1002/qua.560180417

By:

Weiner, Brian;
Goscinski, Osvaldo

Publication type:

Article

Masthead.

Published in:: International Journal of Quantum Chemistry, 1980, v. 18, n. 4, p. fmi, doi. 10.1002/qua.560180401
Publication type:: Article

Shellwise virial scaling: Approximation for atomic hole states.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 4, p. 1049, doi. 10.1002/qua.560180412

By:

Katriel, J.;
Davidson, E. R.

Publication type:

Article

Transferable integrals in a deformation density approach to crystal orbital calculations. IV. Evaluation of angular integrals by a vector-pairing method.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 4, p. 953, doi. 10.1002/qua.560180405

By:

Avery, John;
ørmen, Per-Johan

Publication type:

Article

On Löwdin orthogonalization.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 4, p. 1101, doi. 10.1002/qua.560180416

By:

Aiken, John G.;
Erdos, John A.;
Goldstein, Jerome A.

Publication type:

Article

Hohenberg-Kohn theorem.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 4, p. 1029, doi. 10.1002/qua.560180409

By:

Kryachko, Eugene S.

Publication type:

Article

Simplification of an earlier MCSCF procedure for CI expansions involving orbital excitations.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 4, p. 1045, doi. 10.1002/qua.560180411

By:

Mukherjee, Nirad Gopal;
Ray, Pratip

Publication type:

Article

Effect of symmetry lowering on the band structure of polyacetylene.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 4, p. 937, doi. 10.1002/qua.560180404

By:

Morton-Blake, D. A.

Publication type:

Article

Stable and efficient algorithms for Xα multiple scattering calculations.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 4, p. 1091, doi. 10.1002/qua.560180415

By:

Case, David A.;
Yang, Cary Y.

Publication type:

Article

Graph-theoretical analysis of molecular properties. Isomeric variations in nonanes.

Published in:

International Journal of Quantum Chemistry, 1980, v. 18, n. 4, p. 1005, doi. 10.1002/qua.560180408

By:

Randića, Milan;
Wilkins, Charles L.

Publication type:

Article

Works matching IS 00207608 AND DT 1980 AND VI 18 AND IP 4

Self‐consistent approximation to the polarization propagator.

Simplification of an earlier MCSCF procedure for CI expansions involving orbital excitations.

Stable and efficient algorithms for Xα multiple scattering calculations.

Degenerate symmetry‐adapted perturbation theory. Convergence properties of perturbation expansions for excited states of H<sub>2</sub><sup>+</sup> ion.

Toward a very simple picture of disorder effects in one‐dimensional organic conductors.

Shellwise virial scaling: Approximation for atomic hole states.

On Löwdin orthogonalization.

Hohenberg‐Kohn theorem.

Permutational–symmetry‐adapted powers of representations of the point groups deduced from the unitary group.

Self‐consistent calculation of 1s2s<sup>1</sup>S state wave function of helium.

Graph‐theoretical analysis of molecular properties. Isomeric variations in nonanes.

Hydrogenic orbitals as minimum‐basis functions for SCF calculations.

Transferable integrals in a deformation density approach to crystal orbital calculations. IV. Evaluation of angular integrals by a vector‐pairing method.

Effect of symmetry lowering on the band structure of polyacetylene.

Effect of substituents on electron energy redistribution in uracil derivatives and their ionization in polar solvents.

Electron correlation and Hund's rule.

Masthead.

Permutational-symmetry-adapted powers of representations of the point groups deduced from the unitary group.

Electron correlation and Hund's rule.

Degenerate symmetry-adapted perturbation theory. Convergence properties of perturbation expansions for excited states of H<sub>2</sub><sup>+</sup> ion.

Self-consistent calculation of 1 s2 s<sup>1</sup> S state wave function of helium.

Effect of substituents on electron energy redistribution in uracil derivatives and their ionization in polar solvents.

Hydrogenic orbitals as minimum-basis functions for SCF calculations.

Toward a very simple picture of disorder effects in one-dimensional organic conductors.

Self-consistent approximation to the polarization propagator.

Masthead.

Shellwise virial scaling: Approximation for atomic hole states.

Transferable integrals in a deformation density approach to crystal orbital calculations. IV. Evaluation of angular integrals by a vector-pairing method.

On Löwdin orthogonalization.

Hohenberg-Kohn theorem.

Simplification of an earlier MCSCF procedure for CI expansions involving orbital excitations.

Effect of symmetry lowering on the band structure of polyacetylene.

Stable and efficient algorithms for Xα multiple scattering calculations.

Graph-theoretical analysis of molecular properties. Isomeric variations in nonanes.