Closed Shell Hartree Theory with Orthonormal Orbitals
1980 ◽
Vol 35
(4)
◽
pp. 408-411
◽
Abstract A natural orbital multiconfigurational SCF formalism has been applied to the closed shell Hartree theory with orthonormal orbitals. A prescription is given for constructing a single, one-electron Hamiltonian with which one can determine all the occupied orbitals. The formalism is suited to the matrix formulation of the orthogonalized Hartree theory for polyatomic systems.
1966 ◽
Vol 14
(3)
◽
pp. 130-135
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1975 ◽
Vol 62
(4)
◽
pp. 1225-1234
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2018 ◽
Vol 148
(10)
◽
pp. 104102
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Keyword(s):
1998 ◽
Vol 523
(1-2)
◽
pp. 158-170
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1997 ◽
Vol 6
(1)
◽
pp. 127-135