Masthead.
- Published in:
- International Journal of Quantum Chemistry, 1995, v. 53, n. 5, p. fmi, doi. 10.1002/qua.560530501
- Publication type:
- Article
Works matching IS 00207608 AND DT 1995 AND VI 53 AND IP 5
Results: 14
1
2
'Neglect of Diatomic Differential Overlap' in nonempirical quantum chemical orbital theories. V. A calculus of error concerning the justification of the neglect of diatomic differential overlap ( NDDO) approximation.
- Published in:
- International Journal of Quantum Chemistry, 1995, v. 53, n. 5, p. 553, doi. 10.1002/qua.560530512
- By:
- Publication type:
- Article
3
Approximate energy-evaluating schemes for a system of weakly overlapping group functions.
- Published in:
- International Journal of Quantum Chemistry, 1995, v. 53, n. 5, p. 485, doi. 10.1002/qua.560530505
- By:
- Publication type:
- Article
4
'Neglect of Diatomic Differential Overlap' in nonempirical quantum chemical orbital theories. II. A polynomial expansion for Δ<sup>−1/2</sup> in terms of Legendre and Chebyshev polynomials.
- Published in:
- International Journal of Quantum Chemistry, 1995, v. 53, n. 5, p. 519, doi. 10.1002/qua.560530509
- By:
- Publication type:
- Article
5
Investigation of the <sup>1</sup> E.
- Published in:
- International Journal of Quantum Chemistry, 1995, v. 53, n. 5, p. 467, doi. 10.1002/qua.560530503
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- Publication type:
- Article
6
Predictor-corrector phase-fitted methods for Y<sup>″</sup> = F( X, Y) and an application to the Schrödinger equation.
- Published in:
- International Journal of Quantum Chemistry, 1995, v. 53, n. 5, p. 473, doi. 10.1002/qua.560530504
- By:
- Publication type:
- Article
7
Atomic integrals in Hylleraas- CI calculations with double-linked correlation terms.
- Published in:
- International Journal of Quantum Chemistry, 1995, v. 53, n. 5, p. 575, doi. 10.1002/qua.560530514
- By:
- Publication type:
- Article
8
'Neglect of Diatomic Differential Overlap' in nonempirical quantum chemical orbital theories. I. On the justification of the neglect of diatomic differential overlap approximation.
- Published in:
- International Journal of Quantum Chemistry, 1995, v. 53, n. 5, p. 515, doi. 10.1002/qua.560530508
- By:
- Publication type:
- Article
9
'Neglect of Diatomic Differential Overlap' in nonempirical quantum chemical orbital theories. IV. An examination of the justification of the neglect of diatomic differential overlap ( NDDO) approximation.
- Published in:
- International Journal of Quantum Chemistry, 1995, v. 53, n. 5, p. 541, doi. 10.1002/qua.560530511
- By:
- Publication type:
- Article
10
'Neglect of Diatomic Differential Overlap' in nonempirical quantum chemical orbital theories. III. On the spectrum of the overlap matrix for diatomic molecules over locally orthogonalized basis functions.
- Published in:
- International Journal of Quantum Chemistry, 1995, v. 53, n. 5, p. 537, doi. 10.1002/qua.560530510
- By:
- Publication type:
- Article
11
Asymmetries and anisotropies in the Compton scattering from the hydrogen molecule.
- Published in:
- International Journal of Quantum Chemistry, 1995, v. 53, n. 5, p. 569, doi. 10.1002/qua.560530513
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- Publication type:
- Article
12
Multiple solutions of the single-reference coupled-cluster equations. II. Alternative reference states.
- Published in:
- International Journal of Quantum Chemistry, 1995, v. 53, n. 5, p. 501, doi. 10.1002/qua.560530507
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- Publication type:
- Article
13
Perturbation expansion of the ground-state energy for the one-dimensional cyclic Hubbard system in the Hückel limit.
- Published in:
- International Journal of Quantum Chemistry, 1995, v. 53, n. 5, p. 457, doi. 10.1002/qua.560530502
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- Publication type:
- Article
14
Coulomb energy averaged over the nl<sup> N</sup>-atomic states with a definite spin.
- Published in:
- International Journal of Quantum Chemistry, 1995, v. 53, n. 5, p. 495, doi. 10.1002/qua.560530506
- By:
- Publication type:
- Article