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- W2397151285 abstract "A novel approach to strongly contracted N-electron valence perturbation theory (SC-NEVPT2) as a means of describing dynamic electron correlation for quantum chemical density matrix renormalization group (DMRG) calculations is presented. In this approach the strongly contracted perturber functions are projected onto a renormalized Hilbert space. Compared to a straightforward implementation of SC-NEVPT2 with DMRG wavefunctions, the computational scaling and storage requirements are reduced. This favorable scaling opens up the possibility of calculations with larger active spaces. A specially designed renormalization scheme ensures that both the electronic ground state and the perturber functions are well represented in the renormalized Hilbert space. Test calculations on the N2 and [Cu2O2(en)2](2+) demonstrate some key properties of the method and indicate its capabilities." @default.
- W2397151285 created "2016-06-24" @default.
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- W2397151285 date "2016-05-26" @default.
- W2397151285 modified "2023-09-30" @default.
- W2397151285 title "A projected approximation to strongly contracted N-electron valence perturbation theory for DMRG wavefunctions" @default.
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- W2397151285 cites W1970926733 @default.
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- W2397151285 cites W1976935265 @default.
- W2397151285 cites W1977937874 @default.
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- W2397151285 cites W1988150140 @default.
- W2397151285 cites W1993310062 @default.
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- W2397151285 doi "https://doi.org/10.1063/1.4950757" @default.
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