An essential approach to the architecture of diatomic molecules: 1.Basic theory
Yükleniyor...
Dosyalar
Tarih
2004-11
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Optical Soc Amer
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
We consider the quantum-mechanical description of a diatomic molecule of electronic mass m(0e), internuclear distance R-0, and total electronic energy E-0e. We apply to it the Born-Oppenheimer approximation, together with the relation E(0e)m(0e)R(0)(2) similar to h(2) (which we established previously), written for the electronic description (with fixed nuclei). Our approach yields an essential relationship for T-0,T- the classical vibration period, at the total electronic energy E-0e; i.e., T-0 = [4pi(2)/(rootn(1)n(2)h)] rootgM(0)m(e) R-0(2). Here, At,0 is the reduced mass of the nuclei; m(e) is the mass of the electron; g is a dimensionless and relativistically invariant coefficient. roughly around unity (this quantity is associated with the particular electronic structure under consideration; thus, it remains practically the same for bonds bearing similar electronic configurations); and n(1) and n(2) are the principal quantum numbers of electrons making up the bond(s) of the diatomic molecule in hand: because of quantum defects, they are not integer numbers. The above relationship holds generally, although the quantum numbers n(1) and n(2) need to be refined. This task is undertaken in our next article, yielding a whole new systematization regarding all diatomic molecules.
Açıklama
Anahtar Kelimeler
Approximation theory, Diatomic molecule, Dissociation, Electron bonds, Electronic energy, Electronic mass, Electronic structure, Energy, Light (visible radiation), Light speed, Mathematical transformations, Oscillation, Oscillations, Potential energy, Quantum theory, Relativity, Vibration, Vibration measurement
Kaynak
Optics and Spectroscopy (English translation of Optika i Spektroskopiya)
WoS Q Değeri
Q4
Scopus Q Değeri
Q4
Cilt
97
Sayı
5
Künye
Yarman, N. T. (2004). An essential approach to the architecture of diatomic molecules: 1. basic theory. Optics and Spectroscopy, 97(5), 683-690. doi:10.1134/1.1828616
