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1 Ergebnisse
1
Projector Augmented Wave Method with Gauss-Type Atomic Orbi..:
Xiong, Xiao-Gen
;
Sugiura, Akira
;
Yanai, Takeshi
Journal of Chemical Theory and Computation. 16 (2020) 8 - p. 4883-4898 , 2020
Link:
https://doi.org/10.1021/acs.jctc.0c00137
RT Journal T1 <Title>Projector Augmented Wave Method with Gauss-Type Atomic Orbital Basis: Implementation of the Generalized Gradient Approximation and Mesh Grid Quadrature</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jctc.0c00137&Exemplar=1&LAN=DE A1 Xiong, Xiao-Gen A1 Sugiura, Akira A1 Yanai, Takeshi PB American Chemical Society (ACS) YR 2020 SN 1549-9618 SN 1549-9626 JF Journal of Chemical Theory and Computation VO 16 IS 8 SP 4883 OP 4898 LK http://dx.doi.org/https://doi.org/10.1021/acs.jctc.0c00137 DO https://doi.org/10.1021/acs.jctc.0c00137 SF ELIB - SuUB Bremen
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