Spin-free quantum chemistry. XIX. Particle-hole and pairing symmetries.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 12, n. 6, p. 985, doi. 10.1002/qua.560120603
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- Article
Works matching IS 00207608 AND DT 1977 AND VI 12
Results: 209
1
2
A comparison of geometric methods with other methods for the characterization of density matrices.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 12, n. 6, p. 1039, doi. 10.1002/qua.560120607
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- Article
3
Laplace transform method in two-photon spectroscopy theory.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 12, n. 6, p. 971, doi. 10.1002/qua.560120602
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- Article
4
About the relationship between some necessary conditions for N-representability.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 12, n. 6, p. 1033, doi. 10.1002/qua.560120606
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- Article
5
Masthead.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 12, n. 6, p. fmi, doi. 10.1002/qua.560120601
- Publication type:
- Article
6
Irreducible tensor operator methods in strong-field coupling.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 12, n. 6, p. 1017, doi. 10.1002/qua.560120605
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- Article
7
Spin-Free quantum chemistry. XX. The alternancy quantum number.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 12, n. 6, p. 1001, doi. 10.1002/qua.560120604
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- Article
8
Announcement.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 12, n. 6, p. 1049, doi. 10.1002/qua.560120608
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- Article
9
On the convergence of one-centre partial wave treatments for diatomic molecules. II. Heteronuclear one-electron diatomic molecules using the 1 sσ, 2 sσ, 3 sσ, 2 pσ, 3 pσ, and 3 pσ, states of HeH<sup>++</sup> as models
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 12, n. 5, p. 897, doi. 10.1002/qua.560120511
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- Article
10
Exact calculations of Franck-Condon overlaps and of matrix elements of some potentials by means of the coherent state representation.
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- International Journal of Quantum Chemistry, 1977, v. 12, n. 5, p. 859, doi. 10.1002/qua.560120509
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- Article
11
PCILO calculations on hydrogen bonded complexes. Dimers involving second row atoms.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 12, n. 5, p. 805, doi. 10.1002/qua.560120504
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- Article
12
Differential scaling of σ and π orbitals, and the geometric approximation for molecular polarizabilities.
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- International Journal of Quantum Chemistry, 1977, v. 12, n. 5, p. 963, doi. 10.1002/qua.560120515
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- Article
13
Calculation of molecular crystals within the PCILOCC framework.
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- International Journal of Quantum Chemistry, 1977, v. 12, n. 5, p. 851, doi. 10.1002/qua.560120508
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- Article
14
An algebraic approach to bound states of simple one-electron systems.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 12, n. 5, p. 875, doi. 10.1002/qua.560120510
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- Article
15
Problems of the calculation of intermolecular interactions on complexes with strong delocalized π-bonds within the PCILO framework.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 12, n. 5, p. 795, doi. 10.1002/qua.560120503
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- Article
16
Molecular calculations with the MODPOT, VRDDO, and MODPOT/ VRDDO procedures. IV. Boron hydrides and carboranes.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 12, n. 5, p. 937, doi. 10.1002/qua.560120514
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- Article
17
PCILO calculations on hydrogen bonded complexes.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 12, n. 5, p. 841, doi. 10.1002/qua.560120507
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- Article
18
Announcements.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 12, n. 5, p. 969, doi. 10.1002/qua.560120518
- Publication type:
- Article
19
On some specific properties of systems endowed with dipole-dipole interactions.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 12, n. 5, p. 785, doi. 10.1002/qua.560120502
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- Publication type:
- Article
20
Breit-type three-electron equation in the Pauli approximation.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 12, n. 5, p. 925, doi. 10.1002/qua.560120513
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- Article
21
A new algorithm for the symmetric (Löwdin) orthonormalization.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 12, n. 5, p. 827, doi. 10.1002/qua.560120506
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- Article
22
Introduction to the Electron Theory of Small Molecules. A. C. Hurley. Academic Press, London, England, 1976. X + 329 pp. Price: £12.00.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 12, n. 5, p. 967, doi. 10.1002/qua.560120517
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- Article
23
Masthead.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 12, n. 5, p. fmi, doi. 10.1002/qua.560120501
- Publication type:
- Article
24
Electronic absorption spectra of V<sub>2</sub>O<sub>5</sub>.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 12, n. 5, p. 915, doi. 10.1002/qua.560120512
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- Article
25
Selected valence electron SCF MO calculations on alkali metal diatomics.
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- International Journal of Quantum Chemistry, 1977, v. 12, n. 5, p. 813, doi. 10.1002/qua.560120505
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- Publication type:
- Article
26
Electron Correlation in Small Molecules. A. C. Hurley. Academic Press, London, England, 1976. VIII + 276 pp. Price: £10.50.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 12, n. 5, p. 967, doi. 10.1002/qua.560120516
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- Publication type:
- Article
27
Floating spherical gaussian orbital open-shell calculations on the four-electron H<sub>4</sub> system.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 12, n. 4, p. 593, doi. 10.1002/qua.560120402
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28
On convergence in many-shell SCF theory.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 12, n. 4, p. 765, doi. 10.1002/qua.560120413
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- Article
29
Determination of excitation energies and transition moments in a second order polarization propagator approach. Application to the Be atom and the CH<sup>+</sup> molecule.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 12, n. 4, p. 655, doi. 10.1002/qua.560120406
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- Article
30
Masthead.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 12, n. 4, p. fmi, doi. 10.1002/qua.560120401
- Publication type:
- Article
31
A weakly bound, quantum-mechanical buridan's ass.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 12, n. 4, p. 759, doi. 10.1002/qua.560120412
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- Article
32
Effect of semi-empirical parameters on the simple random-phase approximation calculations of conjugated hydrocarbons.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 12, n. 4, p. 639, doi. 10.1002/qua.560120405
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- Article
33
Announcements.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 12, n. 4, p. 784, doi. 10.1002/qua.560120416
- Publication type:
- Article
34
The MT X α<sub> R</sub> method. The determination and use of 'molecular' α values in molecular multiple scattering Xα calculations.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 12, n. 4, p. 707, doi. 10.1002/qua.560120409
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- Publication type:
- Article
35
Third-order many-body perturbation theory for the ground state of the carbon monoxide molecule.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 12, n. 4, p. 737, doi. 10.1002/qua.560120411
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- Publication type:
- Article
36
Orthogonal trajectories of the electron density.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 12, n. 4, p. 623, doi. 10.1002/qua.560120404
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- Article
37
Hermitian form of the secular equation in the complex molecular orbitals method.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 12, n. 4, p. 781, doi. 10.1002/qua.560120415
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- Article
38
Simplifications in the generation and transformation of two-electron integrals in molecular calculations.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 12, n. 4, p. 683, doi. 10.1002/qua.560120408
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- Article
39
The physics of the born-oppenheimer approximation.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 12, n. 4, p. 721, doi. 10.1002/qua.560120410
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- Article
40
Diagrammatic perturbation theory: Potential curves for the ground state of the carbon monoxide molecule.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 12, n. 4, p. 609, doi. 10.1002/qua.560120403
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- Publication type:
- Article
41
On the dependence of the energy given by a CI limited to double substitutions with respect to the number of electrons.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 12, n. 4, p. 777, doi. 10.1002/qua.560120414
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- Publication type:
- Article
42
Conformational energy map for a pair of peptide units using the bond polarisability method.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 12, n. 4, p. 671, doi. 10.1002/qua.560120407
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- Publication type:
- Article
43
Ab initio valence bond calculations. VII. HF, HF<sup>+</sup>, and H<sub>2</sub>F<sup>+</sup>.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 12, n. 3, p. 515, doi. 10.1002/qua.560120310
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- Publication type:
- Article
44
Convergence properties of generalized inner projections to dynamic polarizabilities.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 12, n. 3, p. 443, doi. 10.1002/qua.560120303
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- Publication type:
- Article
45
Perturbation treatment of the Hartree-Fock equations of 1 s2 p3 s <sup>4</sup> P<sup>θ</sup> state of the lithium isoelectronic sequence.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 12, n. 3, p. 561, doi. 10.1002/qua.560120314
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- Publication type:
- Article
46
Vanadium monoxide energy-spectrum calculation using the augmented-plane-wave and Green's function methods.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 12, n. 3, p. 485, doi. 10.1002/qua.560120307
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- Publication type:
- Article
47
Localized states in a simple cubic crystal via the next-nearest neighbor approximation.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 12, n. 3, p. 433, doi. 10.1002/qua.560120302
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- Publication type:
- Article
48
Perturbation corrections to Koopmans' theorem. IV. Energy-shifted perturbation theory.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 12, n. 3, p. 549, doi. 10.1002/qua.560120313
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- Article
49
MS- Xα calculations of the electron affinities and ionization potentials of some heavy metals and their hydrides and fluorides.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 12, n. 3, p. 471, doi. 10.1002/qua.560120306
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- Publication type:
- Article
50
Announcements.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 12, n. 3, p. 591, doi. 10.1002/qua.560120317
- Publication type:
- Article