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[en] The accuracy of the atomic mean-field approximation (AMFI) to the spin orbit interaction Hamiltonian is evaluated for the paramagnetic contribution to electronic g-tensors. A variety of different substances are tested for this purpose for restricted open-shell Hartree Fock and multi-configuration self-consistent field wave functions. In most cases the introduced error is significantly lower than errors of wave function parameterization. Considering the substantial
Journal
Chemical Physics Letters; ISSN 0009-2614; 
; v. 351(5-6); p. 424-430
; v. 351(5-6); p. 424-430