Article ID Journal Published Year Pages File Type
5389758 Chemical Physics Letters 2006 5 Pages PDF
Abstract
The MLSCMO (multi layer self consistent field) method calculates the electronic states of the high level (CASPT2) calculation region and the low level (FMO) calculation region. The electronic states of these two regions are solved consistently to each other, by repeating ab initio calculations iteratively.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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Theoretical prediction of optical absorption maxima for photosensory receptor mutants
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