The Construction of Semi-diabatic Potential Energy Surfaces of Excited States for Use in Excited State AIMD Studies by the Equation-of-Motion Coupled-Cluster Method
Author(s) -
Kyoung Koo Baeck,
Todd J. Martı́nez
Publication year - 2003
Publication title -
bulletin of the korean chemical society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.237
H-Index - 59
eISSN - 1229-5949
pISSN - 0253-2964
DOI - 10.5012/bkcs.2003.24.6.712
Subject(s) - diabatic , excited state , potential energy , coupled cluster , polyatomic ion , atomic physics , rydberg formula , ab initio , chemistry , valence (chemistry) , equations of motion , potential energy surface , physics , molecule , adiabatic process , quantum mechanics , ion , ionization
Accelerating Research
Robert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom
Address
John Eccles HouseRobert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom