# COMPUTATION OF THE POTENTIAL ENERGY CURVES AND MOLECULAR CONSTANTS OF THE GROUND, SINGLY EXCITED AND DOUBLY EXCITED STATES OF $N_{2}$ WITH THE OPTIMIZED SCREENING CONSTANTS INVOLVING 1s, 2s, 2p, 3s AND 3p BASIC FUNCTIONS

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 Title: COMPUTATION OF THE POTENTIAL ENERGY CURVES AND MOLECULAR CONSTANTS OF THE GROUND, SINGLY EXCITED AND DOUBLY EXCITED STATES OF $N_{2}$ WITH THE OPTIMIZED SCREENING CONSTANTS INVOLVING 1s, 2s, 2p, 3s AND 3p BASIC FUNCTIONS Creators: Sahni, R. C.; Sawhney, B. C.; Hanley, M. J.; La Budde, C. D. Issue Date: 1968 Publisher: Ohio State University Abstract: Computation of the potential energy curves and molecular constants of the ground, singly excited and doubly excited states of the $N_{2}$ molecule have been carried out using the self-consistent field molecular orbital method in the LCAO approximations. In this calculation 1s, 2s, 2p, 3s and 3p functions have been used. The LCAO coefficients and screening constants of all the atomic orbitals including 3s and 3p functions have been optimized. Description: Author Institution: New York University, Chemistry Department URI: http://hdl.handle.net/1811/15461 Other Identifiers: 1968-F-10