Open AccessCalculation of One-Electron Wave Functions and Energy Levels of N-Butane Molecule on the Basis of Slater Atomic Orbitals
Author(s) -
F. G. Pashaev,
А. Г. Гасанов,
M. A. Musaev,
I. I. Abbasov
Publication year - 2021
Publication title -
proceedings of the latvian academy of sciences. section b, natural sciences/latvijas zinātņu akadēmijas vēstis. a daļa, humanitārās un sociālās zinātnes
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.168
H-Index - 9
eISSN - 2255-890X
pISSN - 1407-009X
DOI - 10.2478/prolas-2021-0033
Subject(s) - wave function , slater determinant , invariant (physics) , atomic orbital , quantum mechanics , physics , molecular orbital , symmetry (geometry) , molecular orbital theory , basis (linear algebra) , slater type orbital , symmetry group , unitary state , linear combination of atomic orbitals , electron , molecule , mathematics , geometry , political science , law
It is known that the application of the group theory greatly simplifies the problems of polyatomic systems possessing to any space symmetry. The symmetry properties of such systems are their most important characteristics. In such systems, the Hamilton operator is invariant under unitary symmetry transformations and rearrangements of identical particles in the coordinate system. This allows to obtain information about the character of one-electron wave functions — molecular orbitals — the considered system, i.e. to symmetrise the original wave functions without solving the Schrödinger equation.