Publikationen von Christian Kollmar
Alle Typen
Zeitschriftenartikel (8)
2021
Zeitschriftenartikel
155 (23), 234104 (2021)
An efficient implementation of the NEVPT2 and CASPT2 methods avoiding higher-order density matrices. The Journal of Chemical Physics
Zeitschriftenartikel
154 (21), 214113 (2021)
Approximations of density matrices in N-electron valence state second-order perturbation theory (NEVPT2). II. The full rank NEVPT2 (FR-NEVPT2) formulation. The Journal of Chemical Physics 2020
Zeitschriftenartikel
152 (21), 214110 (2020)
An alternative choice of the zeroth-order Hamiltonian in CASPT2 theory. The Journal of Chemical Physics 2019
Zeitschriftenartikel
40 (14), S. 1463 - 1470 (2019)
A perturbation-based super-CI approach for the orbital optimization of a CASSCF wave function. Journal of Computational Chemistry 2014
Zeitschriftenartikel
141 (13), 134106 (2014)
The static response function in Kohn-Sham theory: An appropriate basis for its matrix representation in case of finite AO basis sets. The Journal of Chemical Physics 2011
Zeitschriftenartikel
135 (8), 084102 (2011)
An orbital-invariant and strictly size extensive post-Hartree-Fock correlation functional. The Journal of Chemical Physics
Zeitschriftenartikel
135 (6), 064103 (2011)
The relationship between double excitation amplitudes and Z vector components in some post-Hartree-Fock correlation methods. The Journal of Chemical Physics 2010
Zeitschriftenartikel
108 (19-20), S. 2449 - 2458 (2010)
The coupled electron pair approximation: variational formulation and spin adaptation. Molecular Physics