Kantharuban Sivalingam - Dissemin

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All papers authored by Kantharuban Sivalingam

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2021 Christian Kollmar

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, Kantharuban Sivalingam

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, Yang Guo

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

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Yang Guo

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, Kantharuban Sivalingam

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Approximations of density matrices in N-electron valence state second-order perturbation theory (NEVPT2). I. Revisiting the NEVPT2 construction

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Yang Guo

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, Kantharuban Sivalingam

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, Christian Kollmar

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

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2017 Yang Guo

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, Kantharuban Sivalingam

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, Edward F. Valeev

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, Frank Neese

Explicitly correlated N-electron valence state perturbation theory (NEVPT2-F12)

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Martin Krupička

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, Kantharuban Sivalingam

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, Lee Huntington, Alexander A. Auer, Frank Neese

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A toolchain for the automatic generation of computer codes for correlated wavefunction calculations

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2016 Kantharuban Sivalingam

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, Martin Krupicka, Alexander A. Auer

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Comparison of fully internally and strongly contracted multireference configuration interaction procedures

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Yang Guo

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, Kantharuban Sivalingam

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, Edward F. Valeev

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SparseMaps—A systematic infrastructure for reduced-scaling electronic structure methods. III. Linear-scaling multireference domain-based pair natural orbital N-electron valence perturbation theory

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