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Single-reference ab initio methods for the calculation of excited states of large molecules.
Chemical Reviews, 2005A. Dreuw, M. Head‐Gordon
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§§ 84 Abs.1, 86 Abs.1, 92 Abs. 2, 93 Abs.1 HGB
Internationales Handelsrecht, 2013openaire +1 more source
Energy‐adjusted ab initio pseudopotentials for the first row transition elements
, 1987M. Dolg, U. Wedig, H. Stoll, H. Preuss
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Ab-initio structure determination of LiSbWO6 by X-ray powder diffraction
, 1988Armel Le Bail, H. Duroy, J. Fourquet
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Ab initio energy-adjusted pseudopotentials for elements of groups 13-17
, 1993A. Bergner +4 more
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Periodic boundary conditions in ab initio calculations.
Physical Review B (Condensed Matter), 1995Makov, Payne
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