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Two-component density functional theory of positron binding to negative ions

✍ Scribed by D.G. Kanhere; Anjali Kshirsagar; Vasudha Bhamre


Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
328 KB
Volume
160
Category
Article
ISSN
0009-2614

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## Abstract A two‐component extension of the seminumerical procedure for the calculation of the Hartree–Fock (HF) exchange matrix recently presented by Neese et al. (Chem Phys 2009, 356, 98) was implemented into the program system TURBOMOLE. It is demonstrated that this allows for efficient self‐co