Scopus
YÖKSİS Eşleşti
Investigation of electronic structure of a lithium atom confined by a finite spherical cavity
Physica B: Condensed Matter · Mayıs 2023
YÖKSİS Kayıtları
Investigation of electronic structure of a lithium atom confined by a finite spherical cavity
Physica B: Condensed Matter · 2023 SCI
PROFESÖR BEKİR ÇAKIR →
Makale Bilgileri
DergiPhysica B: Condensed Matter
Yayın TarihiMayıs 2023
Cilt / Sayfa656
Scopus ID2-s2.0-85149313522
Özet
In this study, we have calculated the average energies of the ground and excited configurations of a lithium atom enclosed by a spherical potential well with finite barrier height, and we have also carried out calculations of orbital energies, confining potential energies and probabilities of finding the electrons in 1s and nl orbitals as a function of confinement radius for the 1s2nl configurations [nl = 2s, 2p, 3d and 4f]. Quantum Genetic Algorithm (QGA) and Hartree-Fock Roothaan (HFR) methods are used to calculate the energy eigenvalues and corresponding wave functions of the confined system. The results show that potential barrier height and confinement radius have a strong influence on the energies and the probabilities of finding the electrons inside and outside the well. It is found that 1s orbital energy increases suddenly at a critical confinement radius, at which the electron in nl orbital is trapped by the confining potential.
Yazarlar (4)
1
Ayhan Özmen
2
Bekir Çakir
3
Celalettin Demir
4
Yusuf Yakar
Anahtar Kelimeler
Confined lithium atom
Finite potential well
Orbital energy
Probability of finding electron
Kurumlar
Aksaray Üniversitesi
Aksaray Turkey
Selçuk Üniversitesi
Selçuklu Turkey
Metrikler
3
Atıf
4
Yazar
4
Anahtar Kelime