Electronic States of Molecules. I. Self‐Consistent Field Calculations of the Ground, Ionized, and Excited States of N2and O2

Autor:	R. C. Sahni, E. J. De Lorenzo
Rok vydání:	1965
Předmět:	Field (physics) Chemistry Excited state Ionization General Physics and Astronomy Molecule Molecular orbital Physical and Theoretical Chemistry Atomic physics Ground state Molecular physics Electron ionization Excitation
Zdroj:	The Journal of Chemical Physics. 42:3612-3620
ISSN:	1089-7690 0021-9606
DOI:	10.1063/1.1695767
Popis:	A number of electronic states of N2 and O2 have been computed using the self‐consistent‐field—molecular orbital (SCF–MO) method. The calculated ionization, excitation, and total energies are compared with the available experimental data, as well as with those reported by other workers.
Databáze:	OpenAIRE
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