Molecular symmetry in ab initio calculations. I
- 作者F. Bartha; E. Kapuy; C. Kozmutza
- 卷第58卷
- 印刷ISSN0231-4428
- 文件大小301.17KB
- 发表时间1985-12
- DOI10.1007/bf03155716
- 页码219-225
RecensionesP. Richter; T. Nagy; Dezső Kiss; I. Gyarmati; G. Pócsik; D. Berényi; R. Gáspár · 1981
Experimental gerontology in HungaryS. Damjanovich; I. Zs.-Nagy; R. Gáspár Jr · 2001
Generalized Hellmann–Feynman theorem in the Xα methodR. Gáspár; Á Nagy · 1987
Pseudopotential and valence exchange in the multiple scattering methodR. Gáspár; Á. Nagy · 1984
Local-density-functional approximation for exchange-correlation potentialR. Gáspár; Á. Nagy · 1987
Electronegativities and hardnesses of several atoms and ions calculated with the Xα method having self-consistent parameter αR. Gáspár; Á. Nagy · 1989
The first ionization energy, electron affinity and electronegativity calculated by theXα method with ab initio self-consistent exchange parameterR. Gáspár; Á. Nagy · 1988