A stepwise atomic, valence-molecular, and full-molecular...

Physical Chemistry Chemical Physics 2009 Vol. 11; Iss. 27

A stepwise atomic, valence-molecular, and full-molecular optimisation of the Hartree–Fock/Kohn–Sham energy

Jansík, Branislav, Høst, Stinne, Johansson, Mikael P., Olsen, Jeppe, Jørgensen, Poul, Helgaker, Trygve
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Volume:
11
Year:
2009
Language:
english
Journal:
Physical Chemistry Chemical Physics
DOI:
10.1039/b901987a
File:
PDF, 616 KB
english, 2009
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