Works matching IS 00207608 AND DT 1977 AND VI 12 AND IP 1

Results: 20

Handbook of atomic data. S. Fraga, I. Karwowski, and K. M. S. Sexena. Elsevier Scientific Publishing Company, Amsterdam, Oxford, New York, 1976. 551 pp. Price: $74.

Published in:

International Journal of Quantum Chemistry, 1977, v. 12, n. 1, p. 231, doi. 10.1002/qua.560120120

By:

Ahlberg, Ragnar

Publication type:

Article

Coupled Hartree-Fock calculation of static dipole polarizations of open-shell ions.

Published in:

International Journal of Quantum Chemistry, 1977, v. 12, n. 1, p. 1, doi. 10.1002/qua.560120102

By:

Roy, H. P.;
Gupta, A.;
Mukherjee, P. K.

Publication type:

Article

Electronic-structure studies of solides. V. Rigorous Hartree-Fock treatment of metallic hydrogen using a plane-wave basis.

Published in:

International Journal of Quantum Chemistry, 1977, v. 12, n. 1, p. 145, doi. 10.1002/qua.560120113

By:

Kumar, Lalit;
Monkhorst, Hendrik J.;
Oddershede, Jens

Publication type:

Article

On the convergence of one centre partial wave treatments for diatomic molecules. H.

Published in:

International Journal of Quantum Chemistry, 1977, v. 12, n. 1, p. 35, doi. 10.1002/qua.560120106

By:

Ali, M. K.;
Meath, William J.

Publication type:

Article

On invariance requirements in approximate SCF MO Theory.

Published in:

International Journal of Quantum Chemistry, 1977, v. 12, n. 1, p. 215, doi. 10.1002/qua.560120117

By:

Nanda, D. N.;
Narasimhan, P. T.

Publication type:

Article

Masthead.

Published in:: International Journal of Quantum Chemistry, 1977, v. 12, n. 1, p. fmi, doi. 10.1002/qua.560120101
Publication type:: Article

A study of molecular one-electron properties in terms of localized molecular orbital components.

Published in:

International Journal of Quantum Chemistry, 1977, v. 12, n. 1, p. 133, doi. 10.1002/qua.560120112

By:

Goddard, John D.;
Czizmadia, Imre G.

Publication type:

Article

Formulas for evaluation of expectation values of monoelectric operators with modified gaussian functions.

Published in:

International Journal of Quantum Chemistry, 1977, v. 12, n. 1, p. 29, doi. 10.1002/qua.560120105

By:

Biondi, Franco;
Salvetti, Oriano;
Gołebiewski, A.

Publication type:

Article

SCF scheme for excited states and analysis of the orbital relaxation effect for H<sub>2</sub>O and FNO.

Published in:

International Journal of Quantum Chemistry, 1977, v. 12, n. 1, p. 207, doi. 10.1002/qua.560120116

By:

Mrozek, J.;
Gołȩbiewski, A.

Publication type:

Article

Calculations of the magnetic shielding constants of heavy nuclei in polyatomic molecules.

Published in:

International Journal of Quantum Chemistry, 1977, v. 12, n. 1, p. 93, doi. 10.1002/qua.560120109

By:

Lazzeretti, P.;
Zanasi, R.

Publication type:

Article

Simplified methods for ab initio calculations. The valence states of CH<sub>2</sub> and CH.

Published in:

International Journal of Quantum Chemistry, 1977, v. 12, n. 1, p. 115, doi. 10.1002/qua.560120111

By:

Gervy, D.;
Verhaegen, G.

Publication type:

Article

Generalized Jansen's perturbation theory for exchange interactions between aroms or molecules.

Published in:

International Journal of Quantum Chemistry, 1977, v. 12, n. 1, p. 19, doi. 10.1002/qua.560120104

By:

Suzuki, Noboru

Publication type:

Article

A note on the importance of d orbitals in the calculation of effective interactions and the excitation spectra of atoms and molecules.

Published in:

International Journal of Quantum Chemistry, 1977, v. 12, n. 1, p. 193, doi. 10.1002/qua.560120115

By:

Cherng, Sharon;
Westhaus, Paul

Publication type:

Article

Correlation effects to the expectation values of atomic systems.

Published in:

International Journal of Quantum Chemistry, 1977, v. 12, n. 1, p. 83, doi. 10.1002/qua.560120108

By:

Brown, Richard E.;
Larsson, S.

Publication type:

Article

A Note on Differences Between Operator-Level and Function-Level Equations of Motion.

Published in:

International Journal of Quantum Chemistry, 1977, v. 12, n. 1, p. 227, doi. 10.1002/qua.560120119

By:

Simons, Jack

Publication type:

Article

Electron momentum distributions from valence-bond wave functions.

Published in:

International Journal of Quantum Chemistry, 1977, v. 12, n. 1, p. 105, doi. 10.1002/qua.560120110

By:

Gardre, S. R.;
Narasimhan, P. T.

Publication type:

Article

The AMO method at small internuclear distances.

Published in:

International Journal of Quantum Chemistry, 1977, v. 12, n. 1, p. 11, doi. 10.1002/qua.560120103

By:

Chao, K. A.;
Oliveira, F. A.;
De Cerqueira, R. O.;
Majlis, Norberto

Publication type:

Article

State vectors and propagators in many-electron theory. A unified approach.

Published in:

International Journal of Quantum Chemistry, 1977, v. 12, n. 1, p. 161, doi. 10.1002/qua.560120114

By:

Linderberg, Jan;
Öhrn, Yngve

Publication type:

Article

Correlation energy contributions to reaction heats.

Published in:

International Journal of Quantum Chemistry, 1977, v. 12, n. 1, p. 61, doi. 10.1002/qua.560120107

By:

George, Philip;
Trachtman, Mendel;
Brett, Alistair M.;
Bock, Charles W.

Publication type:

Article

Tetrahedral Gaussian Lobe Functions.

Published in:

International Journal of Quantum Chemistry, 1977, v. 12, n. 1, p. 225, doi. 10.1002/qua.560120118

By:

Poshusta, R. D.

Publication type:

Article