Correlation energy in triplet electronic states. Application of the many-body Rayleigh-Schrödinger perturbation theory in the restricted Roothaan-Hartree-Fock formalism
1981 ◽
Vol 46
(6)
◽
pp. 1324-1331
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Keyword(s):
The Many
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Explicit formulas over orbitals are given for the correlation energy in triplet electronic states of atoms and molecules. The formulas were obtained by means of the diagrammatic many-body Rayleigh-Schrodinger perturbation theory through third order assuming a single determinant restricted Roothaan-Hartree-Fock wave function. A numerical example is presented for the NH molecule.
1977 ◽
Vol 51
(1)
◽
pp. 170-174
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Keyword(s):
Keyword(s):
2002 ◽
Vol 3
(6)
◽
pp. 639-655
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1997 ◽
Vol 64
(1)
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pp. 43-51
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Keyword(s):
1991 ◽
Vol 233
◽
pp. 61-70
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Keyword(s):
1978 ◽
Vol 58
(1)
◽
pp. 83-86
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Keyword(s):