Works matching IS 00207608 AND DT 1997 AND VI 63 AND IP 1

Results: 29

Hierarchical orthogonalization of descriptors.

Published in:

International Journal of Quantum Chemistry, 1997, v. 63, n. 1, p. 215, doi. 10.1002/(SICI)1097-461X(1997)63:1<215::AID-QUA22>3.0.CO;2-9

By:

Klein, Douglas J.;
Randić, Milan;
Babić, Darko;
Lučić, Bono;
Nikolić, Sonja;
Trinajstić, Nenad

Publication type:

Article

The AGP model for fermion systems.

Published in:

International Journal of Quantum Chemistry, 1997, v. 63, n. 1, p. 23, doi. 10.1002/(SICI)1097-461X(1997)63:1<23::AID-QUA5>3.0.CO;2-4

By:

Coleman, A. John

Publication type:

Article

Locality of exchange matrices for common Gaussian basis sets.

Published in:

International Journal of Quantum Chemistry, 1997, v. 63, n. 1, p. 111, doi. 10.1002/(SICI)1097-461X(1997)63:1<111::AID-QUA15>3.0.CO;2-F

By:

Harriman, John E.;
Hoch, Douglas E.

Publication type:

Article

Development of a new density functional program for all-electron calculation of proteins.

Published in:

International Journal of Quantum Chemistry, 1997, v. 63, n. 1, p. 245, doi. 10.1002/(SICI)1097-461X(1997)63:1<245::AID-QUA26>3.0.CO;2-9

By:

Sato, Fumitoshi;
Shigemitsu, Yasuhiro;
Okazaki, Isao;
Yahiro, Shuuichi;
Fukue, Masahiro;
Kozuru, Shingo;
Kashiwagi, Hiroshi

Publication type:

Article

On the use of the character projection operator in the determination of the symmetry of molecular orbitals and in the construction of hybrid bond orbitals.

Published in:

International Journal of Quantum Chemistry, 1997, v. 63, n. 1, p. 49, doi. 10.1002/(SICI)1097-461X(1997)63:1<49::AID-QUA9>3.0.CO;2-2

By:

Herman, Zelek S.

Publication type:

Article

The TB-LMTO method and its relation to the screened KKR method.

Published in:

International Journal of Quantum Chemistry, 1997, v. 63, n. 1, p. 165, doi. 10.1002/(SICI)1097-461X(1997)63:1<165::AID-QUA19>3.0.CO;2-B

By:

Weinberger, P.;
Turek, I.;
Szunyogh, L.

Publication type:

Article

Calculation of 3n-j symbols by Labarthe's method.

Published in:

International Journal of Quantum Chemistry, 1997, v. 63, n. 1, p. 57, doi. 10.1002/(SICI)1097-461X(1997)63:1<57::AID-QUA10>3.0.CO;2-3

By:

Roothaan, Clemens C. J.;
Lai, Shan-Tao

Publication type:

Article

Spherical hybrids.

Published in:

International Journal of Quantum Chemistry, 1997, v. 63, n. 1, p. 197, doi. 10.1002/(SICI)1097-461X(1997)63:1<197::AID-QUA21>3.0.CO;2-8

By:

Hall, G. G.;
Rees, D.

Publication type:

Article

Hybrids and atomic theory.

Published in:

International Journal of Quantum Chemistry, 1997, v. 63, n. 1, p. 15, doi. 10.1002/(SICI)1097-461X(1997)63:1<15::AID-QUA4>3.0.CO;2-5

By:

Linderberg, Jan

Publication type:

Article

A proof of the metric properties of the symmetric scaling-nesting dissimilarity measure and related symmetry deficiency measures.

Published in:

International Journal of Quantum Chemistry, 1997, v. 63, n. 1, p. 105, doi. 10.1002/(SICI)1097-461X(1997)63:1<105::AID-QUA14>3.0.CO;2-B

By:

Mezey, Paul G.

Publication type:

Article

Vibronic coupling in electronic transitions with significant Duschinsky effect.

Published in:

International Journal of Quantum Chemistry, 1997, v. 63, n. 1, p. 233, doi. 10.1002/(SICI)1097-461X(1997)63:1<233::AID-QUA25>3.0.CO;2-B

By:

Peluso, Andrea;
Santoro, Fabrizio;
Del Re, Giuseppe

Publication type:

Article

Quantum similarity measures and Löwdin's transform for approximate density matrices and macromolecular forces.

Published in:

International Journal of Quantum Chemistry, 1997, v. 63, n. 1, p. 39, doi. 10.1002/(SICI)1097-461X(1997)63:1<39::AID-QUA8>3.0.CO;2-3

By:

Mezey, Paul G.

Publication type:

Article

Structural analysis of certain linear operators representing chemical network systems via the existence and uniqueness theorems of spectral resolution. III.

Published in:

International Journal of Quantum Chemistry, 1997, v. 63, n. 1, p. 149, doi. 10.1002/(SICI)1097-461X(1997)63:1<149::AID-QUA18>3.0.CO;2-7

By:

Arimoto, Shigeru;
Fukui, Kenichi;
Ohno, Hiromu;
Taylor, Keith F.;
Mezey, Paul G.

Publication type:

Article

Localization of multiphoton ionization/dissociation resonance wave functions in AC fields.

Published in:

International Journal of Quantum Chemistry, 1997, v. 63, n. 1, p. 279, doi. 10.1002/(SICI)1097-461X(1997)63:1<279::AID-QUA29>3.0.CO;2-5

By:

Moiseyev, Nimrod

Publication type:

Article

Spin coupling in shake-up processes.

Published in:

International Journal of Quantum Chemistry, 1997, v. 63, n. 1, p. 189, doi. 10.1002/(SICI)1097-461X(1997)63:1<189::AID-QUA20>3.0.CO;2-6

By:

Enkvist, Christer;
Edvardsson, David;
Lunell, Sten

Publication type:

Article

Fourier transform approach to potential harmonics.

Published in:

International Journal of Quantum Chemistry, 1997, v. 63, n. 1, p. 5, doi. 10.1002/(SICI)1097-461X(1997)63:1<5::AID-QUA3>3.0.CO;2-#

By:

Avery, John;
Bian, Wensheng;
Loeser, John;
Antonsen, Frank

Publication type:

Article

Integer quantum Hall effect on abacus.

Published in:

International Journal of Quantum Chemistry, 1997, v. 63, n. 1, p. 99, doi. 10.1002/(SICI)1097-461X(1997)63:1<99::AID-QUA13>3.0.CO;2-1

By:

Srivastava, Vipin

Publication type:

Article

Recurrence relations and closed formulas connecting Franck-Condon factors and squeezed states.

Published in:

International Journal of Quantum Chemistry, 1997, v. 63, n. 1, p. 229, doi. 10.1002/(SICI)1097-461X(1997)63:1<229::AID-QUA24>3.0.CO;2-5

By:

Palma, Alejandro

Publication type:

Article

Constrained solutions of the eigenvalue problem in truncated basis sets.

Published in:

International Journal of Quantum Chemistry, 1997, v. 63, n. 1, p. 35, doi. 10.1002/(SICI)1097-461X(1997)63:1<35::AID-QUA7>3.0.CO;2-3

By:

Sadlej, Andrzej J.

Publication type:

Article

On a generalized oscillator system: Interbasis expansions.

Published in:

International Journal of Quantum Chemistry, 1997, v. 63, n. 1, p. 133, doi. 10.1002/(SICI)1097-461X(1997)63:1<133::AID-QUA17>3.0.CO;2-D

By:

Kibler, Maurice;
Mardoyan, Levon G.;
Pogosyan, George S.

Publication type:

Article

Exact finite series for the few-body auxiliary functions.

Published in:

International Journal of Quantum Chemistry, 1997, v. 63, n. 1, p. 269, doi. 10.1002/(SICI)1097-461X(1997)63:1<269::AID-QUA28>3.0.CO;2-5

By:

Frolov, Alexei M.;
Smith, Vedene H.

Publication type:

Article

Reminiscences about Jean-Louis Calais.

Published in:

International Journal of Quantum Chemistry, 1997, v. 63, n. 1, p. 3, doi. 10.1002/(SICI)1097-461X(1997)63:1<3::AID-QUA2>3.0.CO;2-#

By:

Pauncz, Ruben

Publication type:

Article

Evaluation of relativistic atomic integrals using perimetric coordinates.

Published in:

International Journal of Quantum Chemistry, 1997, v. 63, n. 1, p. 93, doi. 10.1002/(SICI)1097-461X(1997)63:1<93::AID-QUA12>3.0.CO;2-7

By:

Ley-Koo, E.;
Bunge, C. F.;
Jáuregui, R.

Publication type:

Article

Finite and infinite Born-von Kármán regions.

Published in:

International Journal of Quantum Chemistry, 1997, v. 63, n. 1, p. 223, doi. 10.1002/(SICI)1097-461X(1997)63:1<223::AID-QUA23>3.0.CO;2-B

By:

Calais, Jean-Louis;
Weyrich, Wolf

Publication type:

Article

Simple proof of the pairing theorem.

Published in:

International Journal of Quantum Chemistry, 1997, v. 63, n. 1, p. 31, doi. 10.1002/(SICI)1097-461X(1997)63:1<31::AID-QUA6>3.0.CO;2-3

By:

Mayer, I.

Publication type:

Article

Assessing the options for identifying critically important potential surface regions: Applications to nonadiabatic transitions.

Published in:

International Journal of Quantum Chemistry, 1997, v. 63, n. 1, p. 121, doi. 10.1002/(SICI)1097-461X(1997)63:1<121::AID-QUA16>3.0.CO;2-F

By:

Mishra, Manoj K.;
Padmavathi, D. A.;
Rabitz, Herschel A.

Publication type:

Article

Iterative determination of eigenvalues of the time-independent Schrödinger equation by the use of the generalized Bloch equation.

Published in:

International Journal of Quantum Chemistry, 1997, v. 63, n. 1, p. 257, doi. 10.1002/(SICI)1097-461X(1997)63:1<257::AID-QUA27>3.0.CO;2-7

By:

Meißner, Holger;
Steinborn, E. Otto

Publication type:

Article

Introduction.

Published in:

International Journal of Quantum Chemistry, 1997, v. 63, n. 1, p. 1, doi. 10.1002/(SICI)1097-461X(1997)63:1<1::AID-QUA1>3.0.CO;2-#

By:

Löwdin, Per-Olov

Publication type:

Article

Numerical electronic structure calculations for atoms. I. Generalized variable transformation and nonrelativistic calculations.

Published in:

International Journal of Quantum Chemistry, 1997, v. 63, n. 1, p. 65, doi. 10.1002/(SICI)1097-461X(1997)63:1<65::AID-QUA11>3.0.CO;2-5

By:

Andrae, Dirk;
Hinze, Juergen

Publication type:

Article