Kantharuban Sivalingam

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 7

Top Topics

Density Functional Theory

Energy Transfer

Top Venues

The Journal of chemical physics

Physical chemistry chemical physics : PCCP

Journal of computational chemistry

This page only lists publications with an associated author ORCID identifier.

Publications

Marvin H Lechner, Anastasios Papadopoulos, Kantharuban Sivalingam, Alexander A Auer, Axel Koslowski, Ute Becker, Frank Wennmohs, Frank Neese
Code generation in ORCA: progress, efficiency and tight integration. Physical chemistry chemical physics : PCCP 26 (21) (2024)
Marvin H Lechner, Anastasios Papadopoulos, Kantharuban Sivalingam, Alexander A Auer, Axel Koslowski, Ute Becker, Frank Wennmohs, Frank Neese
Code generation in ORCA: progress, efficiency and tight integration. Physical chemistry chemical physics : PCCP (2024)
Yang Guo, Fabijan Pavošević, Kantharuban Sivalingam, Ute Becker, Edward F Valeev, Frank Neese
SparseMaps-A systematic infrastructure for reduced-scaling electronic structure methods. VI. Linear-scaling explicitly correlated N-electron valence state perturbation theory with pair natural orbital. The Journal of chemical physics 158 (12) (2023)
Lucas Lang, Kantharuban Sivalingam, Frank Neese
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. The Journal of chemical physics 152 (1) (2020)
Christian Kollmar, Kantharuban Sivalingam, Benjamin Helmich-Paris, Celestino Angeli, Frank Neese
A perturbation-based super-CI approach for the orbital optimization of a CASSCF wave function. Journal of computational chemistry 40 (14) (2019)
Yang Guo, Kantharuban Sivalingam, Edward F Valeev, Frank Neese
Explicitly correlated N-electron valence state perturbation theory (NEVPT2-F12). The Journal of chemical physics 147 (6) (2018)
Martin Krupička, Kantharuban Sivalingam, Lee Huntington, Alexander A Auer, Frank Neese
A toolchain for the automatic generation of computer codes for correlated wavefunction calculations. Journal of computational chemistry 38 (21) (2017)