Electronic structure of B₄H₈Fe(CO)₃. Comparison of SCF-Xα-SW molecular orbital theory with the ultraviolet photoelectron spectrum

Abstract

The good agreement between the results of SCF-Xα-SW M.O. calculations and the experiment u.v. photoelectron spectrum of B₄H₈Fe(CO)₃ demonstrates (in contrast to the conclusions for similar molecules based on the Hartree–Fock model), that a first-principles one-electron treatment is capable of providing accurate results for this type of compound.

Keywords

STRUCTURE
TREATMENT
AGREEMENT
M.O
U.V
HARTREE
ULTRAVIOLET
GOOD
FOCK
COMPOUND

This publication has 0 references indexed in Scilit:

Electronic structure of B4H8Fe(CO)3. Comparison of SCF-Xα-SW molecular orbital theory with the ultraviolet photoelectron spectrum

Abstract

Keywords

Electronic structure of B₄H₈Fe(CO)₃. Comparison of SCF-Xα-SW molecular orbital theory with the ultraviolet photoelectron spectrum