Title: Cusped-gaussian molecular wavefunctions. Part 1.—LiH as an example
Abstract: SCF calculations for the ground state of LiH suggest that a cusped-gaussian basis may be superior to an all-gaussian basis with respect to both the size of basis and the computational time required to produce a given accuracy of the energy and wavefunction of a molecular system.
Publication Year: 1975
Publication Date: 1975-01-01
Language: en
Type: article
Indexed In: ['crossref']
Access and Citation
Cited By Count: 10
AI Researcher Chatbot
Get quick answers to your questions about the article from our AI researcher chatbot