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
- By:
- Publication type:
- Article
Works matching IS 00207608 AND DT 1977 AND VI 12 AND IP 4
Results: 16
1
2
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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- Publication type:
- Article
3
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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- Publication type:
- Article
4
Masthead.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 12, n. 4, p. fmi, doi. 10.1002/qua.560120401
- Publication type:
- Article
5
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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- Publication type:
- Article
6
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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- Publication type:
- Article
7
Announcements.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 12, n. 4, p. 784, doi. 10.1002/qua.560120416
- Publication type:
- Article
8
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
9
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
10
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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- Publication type:
- Article
11
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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- Publication type:
- Article
12
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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- Publication type:
- Article
13
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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- Publication type:
- Article
14
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
15
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
- By:
- Publication type:
- Article
16
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
- By:
- Publication type:
- Article