scholarly journals Erratum: “A full configuration interaction and coupled-cluster study of the potential-energy surfaces for the lowest singlet excited state of N2” [J. Chem. Phys. 113, 6677 (2000)]

2001 ◽  
Vol 114 (24) ◽  
pp. 10985-10985 ◽  
Author(s):  
Helena Larsen ◽  
Jeppe Olsen ◽  
Poul Jørgensen ◽  
Ove Christiansen
Keyword(s):  
Excited State ◽  
Potential Energy ◽  
Configuration Interaction ◽  
Potential Energy Surfaces ◽  
Chem Phys ◽  
Coupled Cluster ◽  
Singlet Excited State ◽  
Full Configuration Interaction ◽  
Energy Surfaces

Accuracy of Coupled Cluster Excited State Potential Energy Surfaces

2018 ◽  
Vol 14 (11) ◽  
pp. 5859-5869 ◽  
Author(s):  
Attila Tajti ◽  
John F. Stanton ◽  
Devin A. Matthews ◽  
Péter G. Szalay
Keyword(s):  
Excited State ◽  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Coupled Cluster ◽  
State Potential ◽  
Energy Surfaces

Excited interatomic potential energy surfaces of Rb + He that correlate with Rb terms 52S through 72S

2018 ◽  
Vol 20 (46) ◽  
pp. 29274-29284 ◽  
Author(s):  
Amit R. Sharma ◽  
David E. Weeks
Keyword(s):  
Excited State ◽  
Potential Energy ◽  
Configuration Interaction ◽  
Potential Energy Surfaces ◽  
Interatomic Potential ◽  
Basis Sets ◽  
Spin Orbit ◽  
State Spin ◽  
Energy Surfaces ◽  
Quadruple Zeta

The excited state, spin-free, and spin–orbit interatomic potential energy surfaces of Rb + He which correlate with the Rb atomic terms 52S, 52P, 42D, 62S, 62P, 52D, and 72S, are calculated at multi-reference configuration interaction level of theory using all-electron basis sets of triple and quadruple-zeta quality that have been contracted for Douglas–Kroll–Hess (DKH) Hamiltonian and includes core-valence correlation. Important features of the potential energy surfaces are discussed with implications for alkali laser spectroscopy.

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