TY - CHAP
T1 - Rules for Excited States of Degenerate Systems
T2 - Interpretation by Frozen Orbital Analysis
AU - Nakai, Hiromi
N1 - Publisher Copyright:
© 2009, Springer Science+Business Media B.V.
PY - 2009
Y1 - 2009
N2 - This review addresses the rules for the ordering and the splitting of the excited states for the transitions between degenerate orbitals. First, the generality of the rules for the degenerate excitations is examined numerically by highly correlated methods for various types of systems, having D∞h, C∞v, Td, Oh, and Ih symmetries. Next, the qualitative interpretation of the rules for degenerate excitations is demonstrated by adopting the frozen-orbital approximation/analysis.
AB - This review addresses the rules for the ordering and the splitting of the excited states for the transitions between degenerate orbitals. First, the generality of the rules for the degenerate excitations is examined numerically by highly correlated methods for various types of systems, having D∞h, C∞v, Td, Oh, and Ih symmetries. Next, the qualitative interpretation of the rules for degenerate excitations is demonstrated by adopting the frozen-orbital approximation/analysis.
KW - Ab initio calculation
KW - Degenerate system
KW - Excited state
KW - Frozen orbital analysis
UR - http://www.scopus.com/inward/record.url?scp=84930954313&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=84930954313&partnerID=8YFLogxK
U2 - 10.1007/978-90-481-2596-8_18
DO - 10.1007/978-90-481-2596-8_18
M3 - Chapter
AN - SCOPUS:84930954313
T3 - Progress in Theoretical Chemistry and Physics
SP - 363
EP - 395
BT - Progress in Theoretical Chemistry and Physics
PB - Springer Nature
ER -