Calculation of One-Electron Wave Functions and Energy Levels of N-Butane Molecule on the Basis of Slater Atomic Orbitals-Reference-Cited by-同舟云学术

Calculation of One-Electron Wave Functions and Energy Levels of N-Butane Molecule on the Basis of Slater Atomic Orbitals

Published:2021-06-01 Issue:3 Volume:75 Page:229-233
ISSN:2255-890X
Container-title:Proceedings of the Latvian Academy of Sciences. Section B. Natural, Exact, and Applied Sciences.
language:en
Short-container-title:

Author:

Pashaev Faig¹,Gasanov Arzuman²,Musaev Musaver³,Abbasov Ibrahim³

Affiliation:

1. Baku State University , 23 Zahid Khalilov Str., Baku, 1148 , Azerbaijan

2. War College of the Armed Forces , 136 Sh. Mehtiev Street, Baku, 1065 , Azerbaijan

3. Azerbaijan State Oil and Industry University , 20 Azadliq Str., Baku, 1010 , Azerbaijan

Abstract

Abstract 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.

Publisher

Walter de Gruyter GmbH

Link

https://www.sciendo.com/pdf/10.2478/prolas-2021-0033

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