Spin-free wave functions in many-electron perturbation theory. I. Closed-shell systems.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 6, p. 1145, doi. 10.1002/qua.560070610
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- Article
Works matching IS 00207608 AND DT 1973 AND VI 7
Results: 182
1
2
The jerusalem symposia on quantum chemistry and biochemistry. Edited by E. D. Bergmann and B. Pullman. Published by: The Jerusalem Academy of Sciences and Humanities. Jerusalem 1970, 1971, and 1972.
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- International Journal of Quantum Chemistry, 1973, v. 7, n. 6, p. 1221, doi. 10.1002/qua.560070617
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3
Spin-free quantum chemistry. XII. Coarse structure magnetic theory.
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- International Journal of Quantum Chemistry, 1973, v. 7, n. 6, p. 1051, doi. 10.1002/qua.560070603
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4
Announcements.
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- International Journal of Quantum Chemistry, 1973, v. 7, n. 6, p. 1227, doi. 10.1002/qua.560070618
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5
Projection between basis sets: A means of defining the electronic structure of functional subunits.
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- International Journal of Quantum Chemistry, 1973, v. 7, n. 6, p. 1045, doi. 10.1002/qua.560070602
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6
Selected valence electron split-shell molecular orbital calculations on the diatomic interhalogen molecules.
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- International Journal of Quantum Chemistry, 1973, v. 7, n. 6, p. 1183, doi. 10.1002/qua.560070613
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- Article
7
A theory for the construction of the irreducible representations of finite groups. II.
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- International Journal of Quantum Chemistry, 1973, v. 7, n. 6, p. 1091, doi. 10.1002/qua.560070606
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8
Applications of Padé approximants of type II in partitioning technique.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 6, p. 1193, doi. 10.1002/qua.560070614
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9
Masthead.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 6, p. fmi, doi. 10.1002/qua.560070601
- Publication type:
- Article
10
Ab initio Hartree-Fock calculations of electronic wave functions for the c <sup>3</sup>π<sub> u</sub> state of H<sub>2</sub>.
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- International Journal of Quantum Chemistry, 1973, v. 7, n. 6, p. 1175, doi. 10.1002/qua.560070612
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- Article
11
Spin-free quantum chemistry. XIV. The infinite interaction range model for ferromagnetism.
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- International Journal of Quantum Chemistry, 1973, v. 7, n. 6, p. 1077, doi. 10.1002/qua.560070605
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12
Anwendung der Gruppentheorie in der Quantenmechanik. Authors: M. J. Petracshen and E. D. Trifonow. Published by: Akademie-Verlag, Berlin, 1969. No. of pages: 240.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 6, p. 1221, doi. 10.1002/qua.560070616
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- Article
13
The use of irreducible operators for determining the complete set of linearly independent crystal field parameters.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 6, p. 1139, doi. 10.1002/qua.560070609
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- Article
14
Spin-free wave functions in many-electron perturbation theory. II. Systems with one nonclosed shell.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 6, p. 1159, doi. 10.1002/qua.560070611
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- Publication type:
- Article
15
Spin-free quantum chemistry. XIII. Spin waves.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 6, p. 1063, doi. 10.1002/qua.560070604
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16
Matrix elements of general configuration of nonorthogonalized orbitals in state with definite spin.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 6, p. 1203, doi. 10.1002/qua.560070615
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17
Lie algebras in quantum chemistry: Symmetrized orbitals.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 6, p. 1117, doi. 10.1002/qua.560070608
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18
Long-range dispersion interactions involving excited atoms; The H(1 s)-H(2 s) interaction.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 5, p. 877, doi. 10.1002/qua.560070505
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- Article
19
Modified Cartesian Gaussian functions and their use in quantum chemistry.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 5, p. 1021, doi. 10.1002/qua.560070516
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- Article
20
Détermination des Orbitales Moléculaires par Minimisation Directe de L'Energie de L'Etat Fondamental et des Etats Excités des Molécules.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 5, p. 945, doi. 10.1002/qua.560070509
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21
Nondiagonal second order intermolecular forces for interactions involving molecules.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 5, p. 959, doi. 10.1002/qua.560070511
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22
Optimization of molecular orbitals: Easy parametrizations of little rotations suitable for functional iteration.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 5, p. 869, doi. 10.1002/qua.560070504
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23
A configuration interaction study of the spin dipole-dipole parameters for formaldehyde and methylene.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 5, p. 999, doi. 10.1002/qua.560070515
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- Publication type:
- Article
24
Symmetry eigenfunctions suitable for many-electron theories and calculations. I. Mainly atoms.
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- International Journal of Quantum Chemistry, 1973, v. 7, n. 5, p. 927, doi. 10.1002/qua.560070508
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25
The quantum theory of atoms, molecules and photons. Author: John Avery. Published by: McGraw-Hill, London, 1972. Price £5·50. No. of pages: 378.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 5, p. 1037, doi. 10.1002/qua.560070519
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26
Gaussian orbitals optimized for lower bounds of hydrogenic atoms.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 5, p. 951, doi. 10.1002/qua.560070510
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27
Representable reference density matrices induced by information theory.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 5, p. 853, doi. 10.1002/qua.560070503
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28
Interactions between molecules in the neighborhood of a long linear molecule.
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- International Journal of Quantum Chemistry, 1973, v. 7, n. 5, p. 991, doi. 10.1002/qua.560070514
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29
A MO- SCF study of hydroxyl binding and hydroxyl diffusion in pure and fluorine-containing hydroxyapatite.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 5, p. 905, doi. 10.1002/qua.560070507
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30
DODS and the electron gas.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 5, p. 1033, doi. 10.1002/qua.560070518
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31
Masthead.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 5, p. fmi, doi. 10.1002/qua.560070501
- Publication type:
- Article
32
Partitioning schemes for the 2-matrix and the pair density.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 5, p. 837, doi. 10.1002/qua.560070502
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33
Conjugated molecules in strong magnetic fields.
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- International Journal of Quantum Chemistry, 1973, v. 7, n. 5, p. 985, doi. 10.1002/qua.560070513
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- Article
34
Ab initio valence bond calculations. I. Methylene.
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- International Journal of Quantum Chemistry, 1973, v. 7, n. 5, p. 893, doi. 10.1002/qua.560070506
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35
Some remarks on Linderberg's relation.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 5, p. 1029, doi. 10.1002/qua.560070517
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36
Errata.
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- International Journal of Quantum Chemistry, 1973, v. 7, n. 5, p. 1039, doi. 10.1002/qua.560070520
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37
Effect of the exchange integral K<sub>2 s2 p</sub> on the 2 p-orbitals of the <sup>1</sup> P and <sup>3</sup> P states of the beryllium isoelectronic sequence arising from the configuration (1 s)<sup>2</sup>(2 s)(2 p).
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 5, p. 971, doi. 10.1002/qua.560070512
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- Article
38
Application of Local Energy Method to the Estimation of the Correlation in Geminals.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 4, p. 641, doi. 10.1002/qua.560070402
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- Article
39
An Ab Initio calculation of the spin dipole-dipole parameters for methylene.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 4, p. 759, doi. 10.1002/qua.560070413
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- Publication type:
- Article
40
Half-Projected and Projected Hartree-Fock Calculations for Singlet Ground States. i. four-Electron Atomic Systems.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 4, p. 687, doi. 10.1002/qua.560070406
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- Publication type:
- Article
41
Molecular orbital studies on small molecules using H.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 4, p. 819, doi. 10.1002/qua.560070417
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- Article
42
Masthead.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 4, p. fmi, doi. 10.1002/qua.560070401
- Publication type:
- Article
43
Multipole structure of exchange polarization energy for H.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 4, p. 745, doi. 10.1002/qua.560070412
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- Article
44
On the accuracy of the many-points local procedures.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 4, p. 675, doi. 10.1002/qua.560070405
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- Publication type:
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45
Application of the configuration-interaction method and the random phase approximation to the Ab Initio calculation of electronic excitation energies of H.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 4, p. 807, doi. 10.1002/qua.560070416
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- Publication type:
- Article
46
Direct determination of pseudonatural orbitals.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 4, p. 717, doi. 10.1002/qua.560070409
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- Publication type:
- Article
47
Group theoretical methods for determining permitted terms of the electronic states of complexes in crystals. III. The use of plethysm for classification of the permitted terms of impurity complexes in crystal.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 4, p. 739, doi. 10.1002/qua.560070411
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- Publication type:
- Article
48
A nearly free electron model for the dihydrides of the Alkaline-Earth metals.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 4, p. 667, doi. 10.1002/qua.560070404
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- Publication type:
- Article
49
Hydrogen-like relativistic corrections for electric and magnetic hyperfine integrals.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 4, p. 785, doi. 10.1002/qua.560070415
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- Publication type:
- Article
50
Core model calculation of the electric field gradient: Projection operator formalism with application to NH.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 4, p. 707, doi. 10.1002/qua.560070408
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- Publication type:
- Article