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Publikováno v:
Chemical Physics Letters. 71:507-512
The Dirac equation for one-electron polynuclear systems is solved variationally within an analytical multicentre basis set. Each of the four components of the molecular spinor is expanded separately into a scalar basis set. The expansion coefficients
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::069b66478d234d2131d9aab7609f8eb7
https://doi.org/10.1016/0009-2614(80)80214-4
https://doi.org/10.1016/0009-2614(80)80214-4
