Orbital optimisation in single open-shell configurations: A sequential unconstrained minimisation technique.
- Published in:
- International Journal of Quantum Chemistry, 1975, v. 9, n. 6, p. 943, doi. 10.1002/qua.560090602
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- Publication type:
- Article
Works matching IS 00207608 AND DT 1975 AND VI 9 AND IP 6
Results: 17
1
2
Variational principles for discontinuous wave functions and the independent particle model of electronic structure.
- Published in:
- International Journal of Quantum Chemistry, 1975, v. 9, n. 6, p. 1069, doi. 10.1002/qua.560090613
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- Publication type:
- Article
3
Young operators and the Waller-Hartree spinfree method.
- Published in:
- International Journal of Quantum Chemistry, 1975, v. 9, n. 6, p. 981, doi. 10.1002/qua.560090606
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- Publication type:
- Article
4
Energy of interaction of two hydrogen atoms using contracted Gaussian type valence-bond wavefunctions.
- Published in:
- International Journal of Quantum Chemistry, 1975, v. 9, n. 6, p. 1113, doi. 10.1002/qua.560090617
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- Publication type:
- Article
5
Masthead.
- Published in:
- International Journal of Quantum Chemistry, 1975, v. 9, n. 6, p. fmi, doi. 10.1002/qua.560090601
- Publication type:
- Article
6
Orbit-orbit molecular integrals over Gaussian orbitals.
- Published in:
- International Journal of Quantum Chemistry, 1975, v. 9, n. 6, p. 1055, doi. 10.1002/qua.560090612
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- Publication type:
- Article
7
On the solution of the least-squares local energy variance minimization equations.
- Published in:
- International Journal of Quantum Chemistry, 1975, v. 9, n. 6, p. 975, doi. 10.1002/qua.560090605
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- Publication type:
- Article
8
Spin projections for even electron systems.
- Published in:
- International Journal of Quantum Chemistry, 1975, v. 9, n. 6, p. 1109, doi. 10.1002/qua.560090616
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- Publication type:
- Article
9
Extended Hückel theory of hydrogen-molecule interactions.
- Published in:
- International Journal of Quantum Chemistry, 1975, v. 9, n. 6, p. 1021, doi. 10.1002/qua.560090609
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- Publication type:
- Article
10
Adiabatic perturbation theory for the degenerate case. II. Perturbation of degenerate bound states embedded in the continuum.
- Published in:
- International Journal of Quantum Chemistry, 1975, v. 9, n. 6, p. 1047, doi. 10.1002/qua.560090611
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- Publication type:
- Article
11
Operator formalism for forming ket vectors under some constraints.
- Published in:
- International Journal of Quantum Chemistry, 1975, v. 9, n. 6, p. 969, doi. 10.1002/qua.560090604
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- Publication type:
- Article
12
A method for the construction of orthogonal spin eigenfunctions.
- Published in:
- International Journal of Quantum Chemistry, 1975, v. 9, n. 6, p. 1097, doi. 10.1002/qua.560090615
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- Publication type:
- Article
13
Improved convergence of self-consistence procedures in the MC SCF theory.
- Published in:
- International Journal of Quantum Chemistry, 1975, v. 9, n. 6, p. 1009, doi. 10.1002/qua.560090608
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- Publication type:
- Article
14
Adiabatic perturbation theory for the degenerate case. I. Perturbation of isolated degenerate or quasidegenerate levels.
- Published in:
- International Journal of Quantum Chemistry, 1975, v. 9, n. 6, p. 1033, doi. 10.1002/qua.560090610
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- Publication type:
- Article
15
Coherent states and asymptotic behavior of the symmetric top wave functions.
- Published in:
- International Journal of Quantum Chemistry, 1975, v. 9, n. 6, p. 951, doi. 10.1002/qua.560090603
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- Publication type:
- Article
16
Alternant molecular orbitals (amo's) for some organic semiconductors: Ion radical salts from 7, 7, 8, 8-tetracyanoquinodimethane (TCNQ) and chloranil/ para-phenylenediamine (PDC) charge transfer complex.
- Published in:
- International Journal of Quantum Chemistry, 1975, v. 9, n. 6, p. 1087, doi. 10.1002/qua.560090614
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- Publication type:
- Article
17
Correlation effects in the PPP model of alternant π-electronic systems: two-point Padé approximant approach.
- Published in:
- International Journal of Quantum Chemistry, 1975, v. 9, n. 6, p. 987, doi. 10.1002/qua.560090607
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- Publication type:
- Article