Title : An efficient and stable hybrid extended Lagrangian/self-consistent field scheme for solving classical mutual induction.

Pub. Date : 2015 Nov 7

PMID : 26547155






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1 We have adapted a hybrid extended Lagrangian self-consistent field (EL/SCF) approach, developed for time reversible Born Oppenheimer molecular dynamics for quantum electronic degrees of freedom, to the problem of classical polarization. oppenheimer KIT ligand Homo sapiens