Self-consistent calculation of excited <sup>3</sup> P state wave functions of atoms.
- Published in:
- International Journal of Quantum Chemistry, 1971, v. 5, n. 6, p. 647, doi. 10.1002/qua.560050605
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- Publication type:
- Article
Works matching IS 00207608 AND DT 1971 AND VI 5
Results: 148
1
2
A comment on the super-secular-equation in a symmetry adapted basis.
- Published in:
- International Journal of Quantum Chemistry, 1971, v. 5, n. 6, p. 699, doi. 10.1002/qua.560050609
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- Publication type:
- Article
3
Masthead.
- Published in:
- International Journal of Quantum Chemistry, 1971, v. 5, n. 6, p. fmi, doi. 10.1002/qua.560050601
- Publication type:
- Article
4
A self-consistent variation-perturbation theory for open shell atomic systems: Calculation of polarizabilities and shielding factors.
- Published in:
- International Journal of Quantum Chemistry, 1971, v. 5, n. 6, p. 637, doi. 10.1002/qua.560050604
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- Publication type:
- Article
5
Continuous degeneracy and energy-localization of molecular orbitals.
- Published in:
- International Journal of Quantum Chemistry, 1971, v. 5, n. 6, p. 683, doi. 10.1002/qua.560050608
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- Publication type:
- Article
6
The generalized separated electron pair model. II.
- Published in:
- International Journal of Quantum Chemistry, 1971, v. 5, n. 6, p. 605, doi. 10.1002/qua.560050603
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- Publication type:
- Article
7
Ab initio calculation of electronic states of the ions H<sub>4</sub><sup>+</sup> and H<sub>5</sub><sup>+</sup>.
- Published in:
- International Journal of Quantum Chemistry, 1971, v. 5, n. 6, p. 669, doi. 10.1002/qua.560050607
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- Publication type:
- Article
8
Origin of the irrational part contained in the angular numerical factors of matrix elements of the Coulomb operator.
- Published in:
- International Journal of Quantum Chemistry, 1971, v. 5, n. 6, p. 599, doi. 10.1002/qua.560050602
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- Publication type:
- Article
9
Symmetry properties of one- and two-electron molecular integrals.
- Published in:
- International Journal of Quantum Chemistry, 1971, v. 5, n. 6, p. 657, doi. 10.1002/qua.560050606
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- Publication type:
- Article
10
Increased-valence formulae and the bonding of oxygen to haemoglobin.
- Published in:
- International Journal of Quantum Chemistry, 1971, v. 5, n. 5, p. 479, doi. 10.1002/qua.560050502
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- Publication type:
- Article
11
Bounds to second-order perturbation energies (particularly dispersion) for excited states.
- Published in:
- International Journal of Quantum Chemistry, 1971, v. 5, n. 5, p. 525, doi. 10.1002/qua.560050506
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- Publication type:
- Article
12
The optimum projection technique in many-electron treatments.
- Published in:
- International Journal of Quantum Chemistry, 1971, v. 5, n. 3, p. 297, doi. 10.1002/qua.560050305
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- Publication type:
- Article
13
Masthead.
- Published in:
- International Journal of Quantum Chemistry, 1971, v. 5, n. 5, p. fmi, doi. 10.1002/qua.560050501
- Publication type:
- Article
14
Electronic absorption spectra for free hydrazyl radicals, their ionic forms and initial hydrazines.
- Published in:
- International Journal of Quantum Chemistry, 1971, v. 5, n. 5, p. 513, doi. 10.1002/qua.560050505
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- Publication type:
- Article
15
All-electrons band structure of Polyene.
- Published in:
- International Journal of Quantum Chemistry, 1971, v. 5, n. 5, p. 557, doi. 10.1002/qua.560050509
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- Publication type:
- Article
16
The mechanism of binding of polycyclic aromatic hydrocarbons to nucleic acids: A theoretical investigation.
- Published in:
- International Journal of Quantum Chemistry, 1971, v. 5, n. 5, p. 575, doi. 10.1002/qua.560050511
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- Publication type:
- Article
17
On the theoretical foundation of Walsh's rules of molecular geometry in terms of the Hellmann-Feynman theorem.
- Published in:
- International Journal of Quantum Chemistry, 1971, v. 5, n. 4, p. 411, doi. 10.1002/qua.560050406
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- Publication type:
- Article
18
A theoretical investigation of the singly excited two-electron atomic states 1 s2 s<sup>3</sup> S and 1 s3 s<sup>3</sup> S.
- Published in:
- International Journal of Quantum Chemistry, 1971, v. 5, n. 5, p. 583, doi. 10.1002/qua.560050512
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- Publication type:
- Article
19
Poisson equation for molecular exchange, hybrid and coulomb electron repulsion integrals.
- Published in:
- International Journal of Quantum Chemistry, 1971, v. 5, n. 5, p. 505, doi. 10.1002/qua.560050504
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- Publication type:
- Article
20
Self consistent molecular orbital calculations on polyatomic molecules: Gaussian approximation for two-electron integrals.
- Published in:
- International Journal of Quantum Chemistry, 1971, v. 5, n. 5, p. 497, doi. 10.1002/qua.560050503
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- Publication type:
- Article
21
Natural orbital iterations for the ground state of nitric oxide.
- Published in:
- International Journal of Quantum Chemistry, 1971, v. 5, n. 5, p. 539, doi. 10.1002/qua.560050507
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- Publication type:
- Article
22
A note on the theory of interatomic long-range forces.
- Published in:
- International Journal of Quantum Chemistry, 1971, v. 5, n. 4, p. 478, doi. 10.1002/qua.560050412
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- Publication type:
- Article
23
Angular dependence of the retarded dispersion energy.
- Published in:
- International Journal of Quantum Chemistry, 1971, v. 5, n. 5, p. 549, doi. 10.1002/qua.560050508
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- Publication type:
- Article
24
Frequency distribution of radiation emitted from excited atomic systems.
- Published in:
- International Journal of Quantum Chemistry, 1971, v. 5, n. 5, p. 565, doi. 10.1002/qua.560050510
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- Publication type:
- Article
25
High orders corrections to the Van der Waals-London forces. II. Interaction of two molecules with isotropic polarizabilities.
- Published in:
- International Journal of Quantum Chemistry, 1971, v. 5, n. 4, p. 455, doi. 10.1002/qua.560050408
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- Publication type:
- Article
26
Correlation problems in atomic and molecular systems III.
- Published in:
- International Journal of Quantum Chemistry, 1971, v. 5, n. 4, p. 359, doi. 10.1002/qua.560050402
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- Publication type:
- Article
27
Masthead.
- Published in:
- International Journal of Quantum Chemistry, 1971, v. 5, n. 4, p. fmi, doi. 10.1002/qua.560050401
- Publication type:
- Article
28
Announcements.
- Published in:
- International Journal of Quantum Chemistry, 1971, v. 5, n. 4, p. 475, doi. 10.1002/qua.560050410
- Publication type:
- Article
29
The isotropic invariants of fifth-rank cartesian tensors.
- Published in:
- International Journal of Quantum Chemistry, 1971, v. 5, n. 4, p. 381, doi. 10.1002/qua.560050403
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- Publication type:
- Article
30
High orders corrections to the Van der, Waals-London forces. I. A model problem: Two interacting hydrogen molecules is the minimal basis set.
- Published in:
- International Journal of Quantum Chemistry, 1971, v. 5, n. 4, p. 435, doi. 10.1002/qua.560050407
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- Publication type:
- Article
31
On the Mavroyannis-Stephen relativistic long-range interaction energy term between optically active molecules.
- Published in:
- International Journal of Quantum Chemistry, 1971, v. 5, n. 4, p. 469, doi. 10.1002/qua.560050409
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- Publication type:
- Article
32
Self-consistent pseudo-eigenvalue equations in parametric charge-dependent MO methods.
- Published in:
- International Journal of Quantum Chemistry, 1971, v. 5, n. 4, p. 477, doi. 10.1002/qua.560050411
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- Publication type:
- Article
33
A perturbed generalized eigenvalue equation for the helium atom. II.
- Published in:
- International Journal of Quantum Chemistry, 1971, v. 5, n. 4, p. 387, doi. 10.1002/qua.560050404
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- Publication type:
- Article
34
Masthead.
- Published in:
- International Journal of Quantum Chemistry, 1971, v. 5, n. 3, p. fmi, doi. 10.1002/qua.560050301
- Publication type:
- Article
35
The electronic correlation problem and loge localization.
- Published in:
- International Journal of Quantum Chemistry, 1971, v. 5, n. 4, p. 395, doi. 10.1002/qua.560050405
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- Publication type:
- Article
36
Many-electron problems III scaling of the density distributions and the potential fields.
- Published in:
- International Journal of Quantum Chemistry, 1971, v. 5, n. 3, p. 311, doi. 10.1002/qua.560050306
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- Publication type:
- Article
37
On the energy difference between the.
- Published in:
- International Journal of Quantum Chemistry, 1971, v. 5, n. 3, p. 335, doi. 10.1002/qua.560050308
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- Publication type:
- Article
38
Effect of semi-empirical parameters on the triplet energy levels and triplet-triplet transition in benzene.
- Published in:
- International Journal of Quantum Chemistry, 1971, v. 5, n. 3, p. 265, doi. 10.1002/qua.560050303
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- Publication type:
- Article
39
Optimized linear combinations of simple exponentials for atomic systems.
- Published in:
- International Journal of Quantum Chemistry, 1971, v. 5, n. 3, p. 319, doi. 10.1002/qua.560050307
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- Publication type:
- Article
40
Time-dependent quantum theory III. Model for vibrational relaxation in crystals.
- Published in:
- International Journal of Quantum Chemistry, 1971, v. 5, n. 3, p. 239, doi. 10.1002/qua.560050302
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- Publication type:
- Article
41
Theory of intermolecular forces. I. On the inadequacy of the usual Rayleigh-Schrödinger perturbation method for the treatment of intermolecular forces.
- Published in:
- International Journal of Quantum Chemistry, 1971, v. 5, n. 3, p. 273, doi. 10.1002/qua.560050304
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- Publication type:
- Article
42
On the theory of electron correlation in atoms and molecules: Relation between cluster expansion theory and the correlated wave functions method.
- Published in:
- International Journal of Quantum Chemistry, 1971, v. 5, n. 2, p. 119, doi. 10.1002/qua.560050202
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- Publication type:
- Article
43
Analysis of reduced density matrices in the coordinate representation. II. The structure of closed-shell atoms in the restricted Hartree-Fock approximation.
- Published in:
- International Journal of Quantum Chemistry, 1971, v. 5, n. 2, p. 189, doi. 10.1002/qua.560050206
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- Publication type:
- Article
44
Masthead.
- Published in:
- International Journal of Quantum Chemistry, 1971, v. 5, n. 2, p. fmi, doi. 10.1002/qua.560050201
- Publication type:
- Article
45
Analysis of reduced density matrices in the coordinate representation. I. Definitions and basic formulas.
- Published in:
- International Journal of Quantum Chemistry, 1971, v. 5, n. 2, p. 177, doi. 10.1002/qua.560050205
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- Publication type:
- Article
46
Theta-Function overlap approximation applied to the energy of cyclic polyenes.
- Published in:
- International Journal of Quantum Chemistry, 1971, v. 5, n. 2, p. 235, doi. 10.1002/qua.560050209
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- Publication type:
- Article
47
Configuration interaction study of X-ray and fast electron scattering factors for light atomic systems.
- Published in:
- International Journal of Quantum Chemistry, 1971, v. 5, n. 2, p. 157, doi. 10.1002/qua.560050204
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- Publication type:
- Article
48
Time-Dependent quantum theory. IV. Effect of lattice relaxation on the optical spectra.
- Published in:
- International Journal of Quantum Chemistry, 1971, v. 5, n. 2, p. 221, doi. 10.1002/qua.560050208
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- Publication type:
- Article
49
Padé approximants to physical properties via inner projections.
- Published in:
- International Journal of Quantum Chemistry, 1971, v. 5, n. 2, p. 131, doi. 10.1002/qua.560050203
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- Publication type:
- Article
50
On a formula of Braun and Rebane for variational bounds to overlap.
- Published in:
- International Journal of Quantum Chemistry, 1971, v. 5, n. 2, p. 215, doi. 10.1002/qua.560050207
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- Publication type:
- Article