OSU Navigation Bar

The Ohio State University University Libraries Knowledge Bank

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

Please use this identifier to cite or link to this item: http://hdl.handle.net/1811/15461

Show full item record

Files Size Format View
1968-F-10.jpg 102.5Kb JPEG image Thumbnail of 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

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
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.
URI: http://hdl.handle.net/1811/15461
Other Identifiers: 1968-F-10
Bookmark and Share