Works matching IS 00207608 AND DT 1996 AND VI 59 AND IP 6

Results: 20

A variable-step algorithm for computing eigenvalues of the radial Schrödinger equation.

Published in:

International Journal of Quantum Chemistry, 1996, v. 59, n. 6, p. 477, doi. 10.1002/(SICI)1097-461X(1996)59:6<477::AID-QUA5>3.0.CO;2-V

By:

Simos, T. E.;
Tougelidis, G.

Publication type:

Article

Configuration interaction spaces with arbitrary restrictions on orbital occupancies.

Published in:

International Journal of Quantum Chemistry, 1996, v. 59, n. 6, p. 471, doi. 10.1002/(SICI)1097-461X(1996)59:6<471::AID-QUA4>3.0.CO;2-V

By:

Panin, A. I.;
Simon, K. V.

Publication type:

Article

A Formulation of Multipe-Reference CI with Terms Liner in the Interelectronic Distances. II. An Alternative Ansatz.

Published in:

International Journal of Quantum Chemistry, 1996, v. 59, n. 6, p. 505, doi. 10.1002/qua.560590603

By:

Gdanitz, Robert J.;
Röhse, Robert

Publication type:

Article

Path integral formulation for many-electron system.

Published in:

International Journal of Quantum Chemistry, 1996, v. 59, n. 6, p. 457, doi. 10.1002/(SICI)1097-461X(1996)59:6<457::AID-QUA3>3.0.CO;2-X

By:

Kawabe, H.;
Nagao, H.;
Nishikawa, K.

Publication type:

Article

Calculation of bond dissociation energies for oxygen containing molecules by ab initio and density functional theory methods.

Published in:

International Journal of Quantum Chemistry, 1996, v. 59, n. 6, p. 495, doi. 10.1002/(SICI)1097-461X(1996)59:6<495::AID-QUA7>3.0.CO;2-T

By:

Jursic, Branko S.;
Martin, Robin M.

Publication type:

Article

Algebraic theory of molecules. By F. Iachello and R. D. Levine, Oxford University Press, New York 1995, 243 pages. ISBN 0-19-508091-2.

Published in:

International Journal of Quantum Chemistry, 1996, v. 59, n. 6, p. 503, doi. 10.1002/qua.560590602

By:

Linderberg, Jan

Publication type:

Article

Unified approach to molecular structure and molecular vibrations.

Published in:

International Journal of Quantum Chemistry, 1996, v. 59, n. 6, p. 445, doi. 10.1002/(SICI)1097-461X(1996)59:6<445::AID-QUA2>3.0.CO;2-Y

By:

Cohen, Joel M.;
Goodson, David Z.

Publication type:

Article

H

Published in:

International Journal of Quantum Chemistry, 1996, v. 59, n. 6, p. 487, doi. 10.1002/(SICI)1097-461X(1996)59:6<487::AID-QUA6>3.0.CO;2-U

By:

Su, Yu-Nung;
Tsai, Ming-Sung;
Chu, San-Yan

Publication type:

Article

Masthead.

Published in:: International Journal of Quantum Chemistry, 1996, v. 59, n. 6, p. fmi, doi. 10.1002/qua.560590601
Publication type:: Article

Comparative study of DFT methods applied to small titanium/oxygen compounds.

Published in:

International Journal of Quantum Chemistry, 1996, v. 59, n. 6, p. 427, doi. 10.1002/(SICI)1097-461X(1996)59:6<427::AID-QUA1>3.0.CO;2-#

By:

Bergström, Robert;
Lunell, Sten;
Eriksson, Leif A.

Publication type:

Article

Configuration interaction spaces with arbitrary restrictions on orbital occupancies.

Published in:

International Journal of Quantum Chemistry, 1996, v. 59, n. 6, p. 471, doi. 10.1002/(SICI)1097-461X(1996)59:6<471::AID-QUA4>3.0.CO;2-V

By:

Panin, A. I.;
Simon, K. V.

Publication type:

Article

A variable-step algorithm for computing eigenvalues of the radial Schrödinger equation.

Published in:

International Journal of Quantum Chemistry, 1996, v. 59, n. 6, p. 477, doi. 10.1002/(SICI)1097-461X(1996)59:6<477::AID-QUA5>3.0.CO;2-V

By:

Simos, T. E.;
Tougelidis, G.

Publication type:

Article

A Formulation of Multipe-Reference CI with Terms Liner in the Interelectronic Distances. II. An Alternative Ansatz.

Published in:

International Journal of Quantum Chemistry, 1996, v. 59, n. 6, p. 505, doi. 10.1002/qua.560590603

By:

Gdanitz, Robert J.;
Röhse, Robert

Publication type:

Article

Path integral formulation for many-electron system.

Published in:

International Journal of Quantum Chemistry, 1996, v. 59, n. 6, p. 457, doi. 10.1002/(SICI)1097-461X(1996)59:6<457::AID-QUA3>3.0.CO;2-X

By:

Kawabe, H.;
Nagao, H.;
Nishikawa, K.

Publication type:

Article

Calculation of bond dissociation energies for oxygen containing molecules by ab initio and density functional theory methods.

Published in:

International Journal of Quantum Chemistry, 1996, v. 59, n. 6, p. 495, doi. 10.1002/(SICI)1097-461X(1996)59:6<495::AID-QUA7>3.0.CO;2-T

By:

Jursic, Branko S.;
Martin, Robin M.

Publication type:

Article

Algebraic theory of molecules. By F. Iachello and R. D. Levine, Oxford University Press, New York 1995, 243 pages. ISBN 0-19-508091-2.

Published in:

International Journal of Quantum Chemistry, 1996, v. 59, n. 6, p. 503, doi. 10.1002/qua.560590602

By:

Linderberg, Jan

Publication type:

Article

Unified approach to molecular structure and molecular vibrations.

Published in:

International Journal of Quantum Chemistry, 1996, v. 59, n. 6, p. 445, doi. 10.1002/(SICI)1097-461X(1996)59:6<445::AID-QUA2>3.0.CO;2-Y

By:

Cohen, Joel M.;
Goodson, David Z.

Publication type:

Article

H+, Li+, and Na+ affinity study of N2, P2, and their isoelectronic species.

Published in:

International Journal of Quantum Chemistry, 1996, v. 59, n. 6, p. 487, doi. 10.1002/(SICI)1097-461X(1996)59:6<487::AID-QUA6>3.0.CO;2-U

By:

Su, Yu-Nung;
Tsai, Ming-Sung;
Chu, San-Yan

Publication type:

Article

Masthead.

Published in:: International Journal of Quantum Chemistry, 1996, v. 59, n. 6, p. fmi, doi. 10.1002/qua.560590601
Publication type:: Article

Comparative study of DFT methods applied to small titanium/oxygen compounds.

Published in:

International Journal of Quantum Chemistry, 1996, v. 59, n. 6, p. 427, doi. 10.1002/(SICI)1097-461X(1996)59:6<427::AID-QUA1>3.0.CO;2-#

By:

Bergström, Robert;
Lunell, Sten;
Eriksson, Leif A.

Publication type:

Article