1. bookVolume 75 (2021): Issue 3 (June 2021)
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14 Sep 2008
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6 times per year
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access type Open Access

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

Published Online: 22 Jul 2021
Page range: 229 - 233
Received: 06 Aug 2019
Accepted: 23 Apr 2021
Journal Details
License
Format
Journal
First Published
14 Sep 2008
Publication timeframe
6 times per year
Languages
English
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.

Keywords

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