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Christian Kollmar

4PUBLICATIONS

2CO-AUTHORS

Numerical solution of differential and integral equationsTheoretical quantum chemistryRadiation and matterStatistical mechanics, physical combinatorics and mathematical aspects of condensed matter

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Publications (4)

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|Dec 23, 2021

An efficient implementation of the NEVPT2 and CASPT2 methods avoiding higher-order density matrices.

Christian Kollmar, Kantharuban Sivalingam, Yang Guo

|Jul 09, 2021

Approximations of density matrices in N-electron valence state second-order perturbation theory (NEVPT2). II. The full rank NEVPT2 (FR-NEVPT2) formulation.

Yang Guo, Kantharuban Sivalingam, Christian Kollmar

|Jul 10, 2020

Erratum: "An alternative choice of the zeroth-order Hamiltonian in CASPT2 theory" [J. Chem. Phys. 152, 214110 (2020)].

Christian Kollmar, Kantharuban Sivalingam, Frank Neese

|Jun 08, 2020

An alternative choice of the zeroth-order Hamiltonian in CASPT2 theory.

Christian Kollmar, Kantharuban Sivalingam, Frank Neese

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Frequent Collaborators

3 joint publications

Kantharuban Sivalingam

3 joint publications

Frank Neese

Frequent Collaborators

3 joint publications

Kantharuban Sivalingam

3 joint publications

Frank Neese

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