Extension of EWMO model to particle-hole excitations.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 19, n. 4, p. 575, doi. 10.1002/qua.560190411
- By:
- Publication type:
- Article
Works matching IS 00207608 AND DT 1981 AND VI 19 AND IP 4
Results: 22
1
2
Erratum.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 19, n. 4, p. 719, doi. 10.1002/qua.560190422
- By:
- Publication type:
- Article
3
Algebraic structure of fermion density matrices. II.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 19, n. 4, p. 505, doi. 10.1002/qua.560190404
- By:
- Publication type:
- Article
4
Three-body potential energy terms for methane trimers.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 19, n. 4, p. 637, doi. 10.1002/qua.560190415
- By:
- Publication type:
- Article
5
Basis set generation for the SCF calculation.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 19, n. 4, p. 545, doi. 10.1002/qua.560190408
- By:
- Publication type:
- Article
6
Self-Consistent APW-k · p method. I. Theory.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 19, n. 4, p. 681, doi. 10.1002/qua.560190419
- By:
- Publication type:
- Article
7
Exact formulas for overlap integrals of Slater-type orbitals with equal screening constants.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 19, n. 4, p. 567, doi. 10.1002/qua.560190410
- By:
- Publication type:
- Article
8
Uniform quality gaussian basis sets for molecular calculations. IV. Gradient and charged optimized basis sets for CH<sub>4</sub>.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 19, n. 4, p. 711, doi. 10.1002/qua.560190421
- By:
- Publication type:
- Article
9
Ab initio molecular fragment calculations with pseudopotentials. Some fragments containing nitrogen and oxygen.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 19, n. 4, p. 501, doi. 10.1002/qua.560190403
- By:
- Publication type:
- Article
10
Direct calculation of resonant states in reactive scattering. Application to linear triatomic systems.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 19, n. 4, p. 611, doi. 10.1002/qua.560190414
- By:
- Publication type:
- Article
11
Hypervirial analysis of enclosed quantum mechanical systems. II. von Neumann boundary conditions and periodic potentials.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 19, n. 4, p. 533, doi. 10.1002/qua.560190407
- By:
- Publication type:
- Article
12
Information theory interpretation of the Pauli principle and Hund rule.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 19, n. 4, p. 673, doi. 10.1002/qua.560190418
- By:
- Publication type:
- Article
13
Uniform quality gaussian basis sets for molecular calculations. III. Charge optimized basis sets.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 19, n. 4, p. 693, doi. 10.1002/qua.560190420
- By:
- Publication type:
- Article
14
Direct energy minimization of self-consistent electron pair by an orthogonal transformation of the basis.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 19, n. 4, p. 493, doi. 10.1002/qua.560190402
- By:
- Publication type:
- Article
15
Additivity of resonance energy in benzenoid hydrocarbons.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 19, n. 4, p. 593, doi. 10.1002/qua.560190413
- By:
- Publication type:
- Article
16
Hypervirial analysis of enclosed quantum mechanical systems. I. Dirichlet boundary conditions.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 19, n. 4, p. 521, doi. 10.1002/qua.560190406
- By:
- Publication type:
- Article
17
Effective potential theory of atom-diatom scattering in the presence of 'intermediate' reactive channels.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 19, n. 4, p. 655, doi. 10.1002/qua.560190417
- By:
- Publication type:
- Article
18
Masthead.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 19, n. 4, p. fmi, doi. 10.1002/qua.560190401
- Publication type:
- Article
19
Automatic geometry optimization for molecules with d orbitals. III. The EHT method with electrostatic corrections.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 19, n. 4, p. 585, doi. 10.1002/qua.560190412
- By:
- Publication type:
- Article
20
Self-Consistent methods in Hückel and extended Hückel theories.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 19, n. 4, p. 515, doi. 10.1002/qua.560190405
- By:
- Publication type:
- Article
21
Improved CI formula evaluation: Elimination of the phase determination at the determinant level for arbitrarily coupled CSFs.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 19, n. 4, p. 649, doi. 10.1002/qua.560190416
- By:
- Publication type:
- Article
22
Internal dynamics of nonrigid molecules. I. Application to acetone.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 19, n. 4, p. 553, doi. 10.1002/qua.560190409
- By:
- Publication type:
- Article