Time reversal and spin-adapted wave-functions.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 6, p. 1083, doi. 10.1002/qua.560100622
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- Publication type:
- Article
Works matching IS 00207608 AND DT 1976 AND VI 10
Results: 181
1
2
On the symmetry of filled shells.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 6, p. 1007, doi. 10.1002/qua.560100611
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- Article
3
Generating functions for oscillator matrix elements.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 6, p. 951, doi. 10.1002/qua.560100604
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- Article
4
A study of Löwdin's criterion for completeness of basis sets.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 6, p. 1049, doi. 10.1002/qua.560100615
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- Publication type:
- Article
5
On the hypervirial theorem and the scaling problem.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 6, p. 975, doi. 10.1002/qua.560100608
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- Publication type:
- Article
6
Evaluations of two-center integrals using α-functions.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 6, p. 1075, doi. 10.1002/qua.560100619
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- Publication type:
- Article
7
Molecular orbital interpretation of isomer shifts and quadrupole splitting of the mössbauer γ-line in the compounds of Antimony and Tin.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 6, p. 993, doi. 10.1002/qua.560100610
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- Publication type:
- Article
8
Computation scheme for optimizing multiconfigurational wave-functions.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 6, p. 941, doi. 10.1002/qua.560100603
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- Publication type:
- Article
9
Symmetry property of Löwdin's 'alpha' function.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 6, p. 1081, doi. 10.1002/qua.560100621
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- Article
10
Halogénures Alcalins: Un Modèle Incluant une Délocalisation à Courte Distance Application à la Stabilité Relative des Divers Arrangements Cristallins.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 6, p. 1037, doi. 10.1002/qua.560100614
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- Publication type:
- Article
11
Angular correlation of electrons in the ground state of helium.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 6, p. 967, doi. 10.1002/qua.560100607
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- Publication type:
- Article
12
On calculation of energy states of polyatomic molecules and clusters in a solid.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 6, p. 1077, doi. 10.1002/qua.560100620
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- Article
13
Electronic energies of the hydrogen molecule D′∏.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 6, p. 1071, doi. 10.1002/qua.560100618
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- Publication type:
- Article
14
On the solution of the N-completeness problem.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 6, p. 937, doi. 10.1002/qua.560100602
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- Publication type:
- Article
15
Complex molecular orbital method: Open-shell theory.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 6, p. 1025, doi. 10.1002/qua.560100613
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- Article
16
Announcements.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 6, p. 1089, doi. 10.1002/qua.560100624
- Publication type:
- Article
17
A comparison of different.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 6, p. 961, doi. 10.1002/qua.560100606
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- Article
18
The N.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 6, p. 1061, doi. 10.1002/qua.560100617
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- Article
19
Masthead.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 6, p. fmi, doi. 10.1002/qua.560100601
- Publication type:
- Article
20
Stability, continuity, and symmetry of variational wave-functions.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 6, p. 1011, doi. 10.1002/qua.560100612
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- Publication type:
- Article
21
Calculation of the G.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 6, p. 1087, doi. 10.1002/qua.560100623
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- Publication type:
- Article
22
Radial moment analysis of isovalent hybridization in N.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 6, p. 955, doi. 10.1002/qua.560100605
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- Publication type:
- Article
23
The orthogonality problem in valence bond calculations.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 6, p. 1057, doi. 10.1002/qua.560100616
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- Publication type:
- Article
24
Upper and lower bounds to critical values of the Hartree operator.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 6, p. 985, doi. 10.1002/qua.560100609
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- Article
25
Masthead.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 5, p. fmi, doi. 10.1002/qua.560100501
- Publication type:
- Article
26
A comparison of orthogonalized plane wave and augmented plane wave methods for calculating photodetachment cross-sections.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 5, p. 811, doi. 10.1002/qua.560100512
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- Publication type:
- Article
27
Best optimized one-electron wave-functions. IV. Ionization energies of atoms.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 5, p. 743, doi. 10.1002/qua.560100505
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- Publication type:
- Article
28
I. Lineare Fehlerminimisierung Ein Verfahren zur Eigenwertberechnung bei Schrödinger-Operatoren.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 5, p. 873, doi. 10.1002/qua.560100516
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- Publication type:
- Article
29
Hybrid Slater-Gaussian-type 1 s orbitals for the <sup>1</sup>∑.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 5, p. 781, doi. 10.1002/qua.560100509
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- Publication type:
- Article
30
Hybrid orbitals and the runge-lenz vector.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 5, p. 799, doi. 10.1002/qua.560100511
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- Publication type:
- Article
31
Energy bands of sp-hybrid crystals in the many-neighbor approximation.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 5, p. 867, doi. 10.1002/qua.560100515
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- Publication type:
- Article
32
Best optimized one-electron wave-functions. III. Direct examination of optimization effectiveness.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 5, p. 739, doi. 10.1002/qua.560100504
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- Publication type:
- Article
33
Calculation of intermolecular interactions within the PCILO framework.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 5, p. 909, doi. 10.1002/qua.560100519
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- Article
34
Calculations of electric dipole polarizabilities of polyatomic molecules.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 5, p. 771, doi. 10.1002/qua.560100508
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- Publication type:
- Article
35
Many-electron theory in the Waller-Hartree spin-free method.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 5, p. 791, doi. 10.1002/qua.560100510
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- Publication type:
- Article
36
Best optimized one-electron wave-functions. II. Isoelectronic series of Li, Be, B, and C.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 5, p. 733, doi. 10.1002/qua.560100503
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- Publication type:
- Article
37
Combined CI- HY studies of atomic states. IV. The four lowest <sup>1</sup> S and four lowest <sup>1</sup> P states of He and the lowest <sup>1</sup> S and <sup>1</sup> P states of H<sup>−1</sup>.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 5, p. 853, doi. 10.1002/qua.560100514
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- Publication type:
- Article
38
Spin-Extended Hartree-Fock calculation for hydrocarbon π-radicals.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 5, p. 761, doi. 10.1002/qua.560100507
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- Publication type:
- Article
39
Crystal calculation using the PCILO method.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 5, p. 901, doi. 10.1002/qua.560100518
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- Publication type:
- Article
40
The instabilities of the Hartree-Fock solutions and the lattice instabilities for conjugated hydrocarbons: The bond-order and bond-length alternations.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 5, p. 917, doi. 10.1002/qua.560100520
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- Publication type:
- Article
41
Best optimized one-electron wave functions. I. The general procedure of optimization.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 5, p. 719, doi. 10.1002/qua.560100502
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- Publication type:
- Article
42
Generalized spherical functions in the theory of many-electron atoms.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 5, p. 837, doi. 10.1002/qua.560100513
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- Publication type:
- Article
43
Theory of the infrared spectra of the hydrogen bond in molecular crystals.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 5, p. 747, doi. 10.1002/qua.560100506
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- Publication type:
- Article
44
II. Eigenwertberechnung beim Dreikörperproblem.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 5, p. 887, doi. 10.1002/qua.560100517
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- Publication type:
- Article
45
The simulated ab initio molecular orbital technique. VI. Open-shell radicals in the spin restricted formalism.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 4, p. 629, doi. 10.1002/qua.560100407
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- Publication type:
- Article
46
Quantum chemical calculations on thioridazine.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 4, p. 559, doi. 10.1002/qua.560100402
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- Publication type:
- Article
47
On the applicability of the selected valence electron split-shell method to ionic molecules.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 4, p. 715, doi. 10.1002/qua.560100413
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- Publication type:
- Article
48
Calculation of j and jm symbols for arbitrary compact groups. III. Application to SO.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 4, p. 615, doi. 10.1002/qua.560100406
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- Publication type:
- Article
49
Masthead.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 4, p. fmi, doi. 10.1002/qua.560100401
- Publication type:
- Article
50
Group theoretical classification of states of a molecular system at definite states of its constituent parts.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 4, p. 699, doi. 10.1002/qua.560100412
- By:
- Publication type:
- Article