Spectra and total energies from self-consistent many-body perturbation theory
نویسندگان
چکیده
منابع مشابه
Calculation of Dissociation Energies Using Many - Body Perturbation Theory
A major task for theoretical chemists is the development of methods to predict energy differences with chemical accuracy. Most quantum chemists agree that accurate prediction of relative energies requires application of theories that include electron correlation effects, effects not treated in self-consistent-field (SCF) calculations [1-4]. Estimates of molecular correlation energy have been ob...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 1998
ISSN: 0163-1829,1095-3795
DOI: 10.1103/physrevb.58.12684