Energy Landscape of State-Specific Electronic Structure Theory
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DOI: 10.1021/acs.jctc.1c01089
Abstract: State-specific approximations can provide a more accurate representation of challenging electronic excitations by enabling relaxation of the electron density. While state-specific wave functions are known to be local minima or saddle points of the approximate… read more here.
Keywords: state specific; energy landscape; energy; exact energy ... See more keywords