Kantharuban Sivalingam

Low-energy spectrum of iron–sulfur clusters directly from many-particle quantum mechanics

Sandeep Sharma, Kantharuban Sivalingam, Frank Neese et al. · Nature Chemistry · 2014 · 316 citations · Full text

Natural Sciences, Chemistry, Physics +16

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

Yang Guo, Kantharuban Sivalingam, Edward F. Valeev et al. · The Journal of Chemical Physics · 2016 · 192 citations

Natural Sciences, Chemistry, Physics +16

Detailed Ab Initio First-Principles Study of the Magnetic Anisotropy in a Family of Trigonal Pyramidal Iron(II) Pyrrolide Complexes

Mihail Atanasov, Dmitry Ganyushin, Dimitrios A. Pantazis et al. · Inorganic Chemistry · 2011 · 169 citations

Natural Sciences, Chemistry, Physics +17

Assessment of n-Electron Valence State Perturbation Theory for Vertical Excitation Energies

Igor Schapiro, Kantharuban Sivalingam, Frank Neese · Journal of Chemical Theory and Computation · 2013 · 159 citations

Natural Sciences, Chemistry, Physics +17

Systematic Theoretical Study of the Zero-Field Splitting in Coordination Complexes of Mn(III). Density Functional Theory versus Multireference Wave Function Approaches

Carole Duboc, Dmitry Ganyushin, Kantharuban Sivalingam et al. · The Journal of Physical Chemistry A · 2010 · 137 citations

Natural Sciences, Chemistry, Computational Chemistry +16