Works matching IS 00207608 AND DT 1991 AND VI 40 AND IP 1

Results: 12

International journal of quantum chemistry-a journal devoted to quantum theory and computations in chemistry, condensed matter physics, and biology. Editorial-Program and Policies.

Published in:

International Journal of Quantum Chemistry, 1991, v. 40, n. 1, p. 1, doi. 10.1002/qua.560400102

By:

Löwdin, Per-Olov

Publication type:

Article

Masthead.

Published in:: International Journal of Quantum Chemistry, 1991, v. 40, n. 1, p. fmi, doi. 10.1002/qua.560400101
Publication type:: Article

Quantum rigid dipole in a permanent electric field. I. Rigorous treatment.

Published in:

International Journal of Quantum Chemistry, 1991, v. 40, n. 1, p. 33, doi. 10.1002/qua.560400106

By:

Kryachko, Eugene S.;
Yanovitskii, Oleg E.

Publication type:

Article

A BSSE-free SCF algorithm for intermolecular interactions.

Published in:

International Journal of Quantum Chemistry, 1991, v. 40, n. 1, p. 139, doi. 10.1002/qua.560400112

By:

Mayer, I.;
Vibók, Á.

Publication type:

Article

A density functional for the correlation energy, deduced in the framework of the correlation factor approach.

Published in:

International Journal of Quantum Chemistry, 1991, v. 40, n. 1, p. 23, doi. 10.1002/qua.560400105

By:

Moscardó, Federico;
San-Fabián, Emilio

Publication type:

Article

The rigorous (nonvariational) solution of the Schrödinger equation for a molecular potential of arbitrary shape. II. The basis functions, discrete spectrum, and the special case of MT potential.

Published in:

International Journal of Quantum Chemistry, 1991, v. 40, n. 1, p. 87, doi. 10.1002/qua.560400109

By:

Gegusin, I. I.

Publication type:

Article

An ab initio study of the unimolecular decomposition mechanism of formamidine. 4-31G Characterization of potential energy hypersurface.

Published in:

International Journal of Quantum Chemistry, 1991, v. 40, n. 1, p. 127, doi. 10.1002/qua.560400111

By:

Andrés, Juan;
Krechl, Jiría;
Carda, Miguel;
Silla, Estanislao

Publication type:

Article

On a canonical functions approach to the elastic scattering phase-shift problem.

Published in:

International Journal of Quantum Chemistry, 1991, v. 40, n. 1, p. 11, doi. 10.1002/qua.560400104

By:

Kobeissi, Hafez;
Fakhreddine, Khaled;
Kobeissi, Majida

Publication type:

Article

The rigorous (nonvariational) solution of the Schrödinger equation for a molecular potential of arbitrary shape. I. General formulation.

Published in:

International Journal of Quantum Chemistry, 1991, v. 40, n. 1, p. 67, doi. 10.1002/qua.560400108

By:

Gegusin, I. I.

Publication type:

Article

SCF theory of molecular interactions.

Published in:

International Journal of Quantum Chemistry, 1991, v. 40, n. 1, p. 97, doi. 10.1002/qua.560400110

By:

Grant, A. J.;
Pickup, B. T.

Publication type:

Article

A counterexample and a modification to the adiabatic approximation theorem in quantum mechanics.

Published in:

International Journal of Quantum Chemistry, 1991, v. 40, n. 1, p. 3, doi. 10.1002/qua.560400103

By:

Gingold, H.

Publication type:

Article

Quantum rigid dipole in a permanent electric field. II. Model of librational motion in liquid water and ice Ih: Preliminary results.

Published in:

International Journal of Quantum Chemistry, 1991, v. 40, n. 1, p. 55, doi. 10.1002/qua.560400107

By:

Kryachko, Eugene S.;
Yanovitskii, Oleg E.

Publication type:

Article