Zobrazeno 1 - 2
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pro vyhledávání: '"Bernd A. Heβ"'
Autor:
Christof Hättig, Bernd A. Heβ
Publikováno v:
Chemical Physics Letters. 233:359-370
A new method for the calculation of correlated frequency-dependent polarizabilities by the use of time-dependent second-order Moller-Plesset perturbation theory is presented. Within this method the dynamic polarizabilities are defined as second deriv
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::95cb10dd52009bca04c1bc4f34ec91da
https://doi.org/10.1016/0009-2614(94)01487-g
https://doi.org/10.1016/0009-2614(94)01487-g
Autor:
Bernd A. Heβ, M. Gleichmann
Publikováno v:
Chemical Physics Letters. 227:229-234
We present the results of relativistic all-electron ab initio calculations on the mercury atom, using the spin-free no-pair Hamiltonian in a Gaussian basis set expansion. Excitation energies, electron affinity and ionization potential were calculated
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5ed53b3b32d25b7332265be9527da3cb
https://doi.org/10.1016/0009-2614(94)00788-8
https://doi.org/10.1016/0009-2614(94)00788-8