Optimized Gaussian basis sets for use with relativistic effective (core) potentials: LiAr.
- Published in:
- International Journal of Quantum Chemistry, 1991, v. 40, n. 6, p. 789, doi. 10.1002/qua.560400608
- By:
- Publication type:
- Article
Works matching IS 00207608 AND DT 1991 AND VI 40 AND IP 6
Results: 13
1
2
Exact and approximate solutions to the one-center McMurchie-Davidson tree-search problem.
- Published in:
- International Journal of Quantum Chemistry, 1991, v. 40, n. 6, p. 809, doi. 10.1002/qua.560400610
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- Publication type:
- Article
3
Ab initio SCF calculations on [V<sub>10</sub>O<sub>28</sub>]<sup>6−</sup>: A benchmark for the classical calculation and processing of molecular integrals on large Gaussian basis sets.
- Published in:
- International Journal of Quantum Chemistry, 1991, v. 40, n. 6, p. 723, doi. 10.1002/qua.560400603
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- Publication type:
- Article
4
A contracted bromine basis set for use in calculation of molecular energies.
- Published in:
- International Journal of Quantum Chemistry, 1991, v. 40, n. 6, p. 781, doi. 10.1002/qua.560400607
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- Publication type:
- Article
5
Introduction.
- Published in:
- International Journal of Quantum Chemistry, 1991, v. 40, n. 6, p. 721, doi. 10.1002/qua.560400602
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- Publication type:
- Article
6
The COLUMBUS Standard Integral File Structure: A proposed interchange format.
- Published in:
- International Journal of Quantum Chemistry, 1991, v. 40, n. 6, p. 865, doi. 10.1002/qua.560400613
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- Publication type:
- Article
7
Two-electron repulsion integrals over Gaussian s functions.
- Published in:
- International Journal of Quantum Chemistry, 1991, v. 40, n. 6, p. 745, doi. 10.1002/qua.560400604
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- Publication type:
- Article
8
Spin-orbit (core) and core potential integrals.
- Published in:
- International Journal of Quantum Chemistry, 1991, v. 40, n. 6, p. 773, doi. 10.1002/qua.560400606
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- Publication type:
- Article
9
Portable tools and applications for parallel computers.
- Published in:
- International Journal of Quantum Chemistry, 1991, v. 40, n. 6, p. 847, doi. 10.1002/qua.560400612
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- Publication type:
- Article
10
The prism algorithm for two-electron integrals.
- Published in:
- International Journal of Quantum Chemistry, 1991, v. 40, n. 6, p. 753, doi. 10.1002/qua.560400605
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- Publication type:
- Article
11
Ab initio methods for large systems.
- Published in:
- International Journal of Quantum Chemistry, 1991, v. 40, n. 6, p. 797, doi. 10.1002/qua.560400609
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- Publication type:
- Article
12
Ab initio relativistic effective potentials with spin-orbit operators. VI. Fr through Pu.
- Published in:
- International Journal of Quantum Chemistry, 1991, v. 40, n. 6, p. 829, doi. 10.1002/qua.560400611
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- Publication type:
- Article
13
Masthead.
- Published in:
- International Journal of Quantum Chemistry, 1991, v. 40, n. 6, p. fmi, doi. 10.1002/qua.560400601
- Publication type:
- Article