Construction of diabatic Hamiltonian matrix from ab initio calculated molecular symmetry adapted nonadiabatic coupling terms and nuclear dynamics for the excited states of Na3 cluster.

Mukherjee, Saikat

Construction of diabatic Hamiltonian matrix from ab initio calculated molecular symmetry adapted nonadiabatic coupling terms and nuclear dynamics for the excited states of Na3 cluster. [electronic resource] - The journal of physical chemistry. A Apr 2013 - 3475-95 p. digital

Publication Type: Journal Article

1520-5215

10.1021/jp311597c doi