00994nas a2200181 4500008004100000022001400041245007700055210006900132260011000201300001600311490000700327520030700334100001700641700002200658700001600680700001800696856009800714 2013 eng d a1463-907600aCAP/EOM-CCSD method for the study of potential curves of resonant states0 aCAPEOMCCSD method for the study of potential curves of resonant aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcSEP a17915-179210 v153 a
The equation-of-motion coupled-cluster (EOM-CC) method along with the complex absorbing potential (CAP) is used for the study of resonance in e(-)-N-2 and e(-)-CO. Resonance position and width are studied as a function of bond length. We report the potential curves (PC) of the resonance states.
1 aGhosh, Aryya1 aKarne, Anagha, S.1 aPal, Sourav1 aVaval, Nayana uhttp://library.ncl.res.in/content/capeom-ccsd-method-study-potential-curves-resonant-states-0