Kantharuban Sivalingam

6PUBLICATIONS
4CO-AUTHORS
Numerical solution of differential and integral equationsTheoretical quantum chemistryStatistical mechanics, physical combinatorics and mathematical aspects of condensed matterStatistical mechanics in chemistry
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Publications (6)

|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). I. Revisiting the NEVPT2 construction.

Yang Guo, Kantharuban Sivalingam, Frank Neese

|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

|Jun 08, 2020
An alternative choice of the zeroth-order Hamiltonian in CASPT2 theory.

Christian Kollmar, Kantharuban Sivalingam, Frank Neese

|Jan 10, 2020
The combination of multipartitioning of the Hamiltonian with canonical Van Vleck perturbation theory leads to a Hermitian variant of quasidegenerate N-electron valence perturbation theory.

Lucas Lang, Kantharuban Sivalingam, Frank Neese

|Aug 17, 2017
Explicitly correlated N-electron valence state perturbation theory (NEVPT2-F12).

Yang Guo, Kantharuban Sivalingam, Edward F Valeev

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Frequent Collaborators

5 joint publications

Frank Neese

3 joint publications

Christian Kollmar

1 joint publications

Edward F Valeev

1 joint publications

Lucas Lang