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The top documents tagged [fock operatorthe problem]
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Born-Oppenheimer Approximation T N =0, V NN =ct Hartree-Fock equations
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Given a set of k orthonormal spatial orbitals (MO) { i }, i=1,...k RHF and UHF formalisms 2k spin-orbitals: i, i=1,...,2k unrestricted MOs unrestricted
224 views
Documents
Born-Oppenheimer Approximation T N =0, V NN =ct
23 views
Documents
Given a set of k orthonormal spatial orbitals (MO) { i }, i=1,...k
23 views