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Permanent electrostatic moments through the lens of atoms: assessing variational Hirshfeld methods. [PDF]
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2009
Abstract An old but generally very powerful method of approximation is the variational approach. The main ideas involved and a few applications are considered in this chapter.
Kenichi Konishi, Giampiero Paffuti
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Abstract An old but generally very powerful method of approximation is the variational approach. The main ideas involved and a few applications are considered in this chapter.
Kenichi Konishi, Giampiero Paffuti
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Variational transcorrelated method
The Journal of Chemical Physics, 2010We propose a new approach to the use of Jastrow ansatz in the calculation of electron correlations, based on a modification of the transcorrelated method of Boys and Handy [Proc. R. Soc. London, Ser. A 309, 209 (1969)]. In this new method, the original transcorrelated orbital equation is replaced with a general variational equation for the reference ...
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