Works matching IS 00207608 AND DT 1997 AND VI 65 AND IP 2

Results: 10

N-representability of diagonal elements of second-order reduced density matrices.

Published in:

International Journal of Quantum Chemistry, 1997, v. 65, n. 2, p. 127, doi. 10.1002/(SICI)1097-461X(1997)65:2<127::AID-QUA4>3.0.CO;2-Y

By:

Samvelyan, S. Kh.

Publication type:

Article

Solvent effects on electronic spectra studied by multiconfigurational perturbation theory.

Published in:

International Journal of Quantum Chemistry, 1997, v. 65, n. 2, p. 167, doi. 10.1002/(SICI)1097-461X(1997)65:2<167::AID-QUA8>3.0.CO;2-U

By:

Serrano-Andrés, Luis;
Fülscher, Markus P.;
Karlström, Gunnar

Publication type:

Article

Localization-consistent electronic energy partitions.

Published in:

International Journal of Quantum Chemistry, 1997, v. 65, n. 2, p. 121, doi. 10.1002/(SICI)1097-461X(1997)65:2<121::AID-QUA3>3.0.CO;2-Y

By:

Paniagua, Juan Carlos;
Moyano, Albert

Publication type:

Article

Lie algebraic approach to the collinear collisions between two diatomic molecules.

Published in:

International Journal of Quantum Chemistry, 1997, v. 65, n. 2, p. 159, doi. 10.1002/(SICI)1097-461X(1997)65:2<159::AID-QUA7>3.0.CO;2-V

By:

Guan, Daren;
Ding, Shiliang;
Yang, Benhui;
Yi, Xizhang

Publication type:

Article

Relevant space within the spin-adapted reduced Hamiltonian theory. II. Study of the π cloud in benzene and naphthalene.

Published in:

International Journal of Quantum Chemistry, 1997, v. 65, n. 2, p. 107, doi. 10.1002/(SICI)1097-461X(1997)65:2<107::AID-QUA2>3.0.CO;2-#

By:

Valdemoro, C.;
De Lara-Castells, M. P.;
Bochicchio, R.;
Pérez-Romero, E.

Publication type:

Article

Relativistic multiconfiguration Hartree-SFock by means of direct perturbation theory.

Published in:

International Journal of Quantum Chemistry, 1997, v. 65, n. 2, p. 151, doi. 10.1002/(SICI)1097-461X(1997)65:2<151::AID-QUA6>3.0.CO;2-V

By:

Sundholm, Dage;
Ottschofski, Edgar

Publication type:

Article

Hydrogen-type orbitals in terms of Gaussian functions.

Published in:

International Journal of Quantum Chemistry, 1997, v. 65, n. 2, p. 143, doi. 10.1002/(SICI)1097-461X(1997)65:2<143::AID-QUA5>3.0.CO;2-W

By:

Dacosta, Herbert F. M.;
Trsic, Milan;
Simas, Alfredo M.

Publication type:

Article

Erratum: Simple modification of the Lee-Yang-Parr correlation functional to satisfy exact nonuniform scaling requirements.

Published in:

International Journal of Quantum Chemistry, 1997, v. 65, n. 2, p. 195, doi. 10.1002/(SICI)1097-461X(1997)65:2<195::AID-QUA10>3.0.CO;2-8

By:

Ivanov, Stanislav

Publication type:

Article

Relevant space within the spin-adapted reduced Hamiltonian theory. I. Study of the BH molecule.

Published in:

International Journal of Quantum Chemistry, 1997, v. 65, n. 2, p. 97, doi. 10.1002/(SICI)1097-461X(1997)65:2<97::AID-QUA1>3.0.CO;2-V

By:

Valdemoro, C.;
De Lara-Castells, M. P.;
Bochicchio, R.;
Pérez-Romero, E.

Publication type:

Article

Electronic structure and spectra of ruthenium binuclear complexes: Localized versus delocalized model.

Published in:

International Journal of Quantum Chemistry, 1997, v. 65, n. 2, p. 183, doi. 10.1002/(SICI)1097-461X(1997)65:2<183::AID-QUA9>3.0.CO;2-S

By:

Sizova, O. V.;
Baranovski, V. I.;
Ivanova, N. V.;
Panin, A. I.

Publication type:

Article