A Novel Constraint for the Simplified Description of Dispersion Forces
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We propose a novel use of an exact constraint in the construction of simple approximations for response functions of interacting many-electron systems. Within its simplest local version, the resulting theory gives improved approximations for static atomic dipolar polarisabilities without the direct use of wavefunctions or semi-empirical cutoffs. It leads to correct van der Waals energies between distant planar systems, but over-corrects existing cutoff theories for the van der Waals C 6 coefficient for atoms. It is argued that a nonlocal-response version of the constrained theory will do better.
2012 ◽
Vol 68
(6)
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pp. o1923-o1923
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1970 ◽
Vol 43
(3)
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pp. 698-704
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1967 ◽
Vol 21
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pp. 233-242
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1967 ◽
Vol 40
(4)
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pp. 1017-1017
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Complexity and Convergence of Electrostatic and van der Waals Energies within PME and Cutoff Methods
2004 ◽
Vol 5
(4)
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pp. 154-173
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2012 ◽
Vol 24
(42)
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pp. 424214
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1998 ◽
Vol 80
(19)
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pp. 4153-4156
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