Vijay gopal CHILKURI

Publications

Article dans une revue (11)

QMCkl: A Kernel Library for Quantum Monte Carlo Applications Emiel Slootman,Vijay Gopal Chilkuri,Aurelien Delval,Max Hoffer,Tommaso Gorniet al. The Journal of Chemical Physics, 2026, 164 (11), ⟨10.1063/5.0316155⟩ Article dans une revue hal-05425364v1
Approximations of density matrices in N-electron valence state second-order perturbation theory (NEVPT2). III. Large active space calculations with selected configuration interaction reference Yang Guo,Kantharuban Sivalingam,Vijay Gopal Chilkuri,Frank Neese The Journal of Chemical Physics, 2025, 162 (14), ⟨10.1063/5.0262473⟩ Article dans une revue hal-05081709v1
Treating Spin–Orbit Coupling and Spin–Spin Coupling in the Framework of the Iterative Configuration Expansion Selected CI Lucas Lang,Vijay Gopal Chilkuri,Frank Neese Journal of Chemical Theory and Computation, 2025, 21 (13), pp.6482 - 6504. ⟨10.1021/acs.jctc.5c00463⟩ Article dans une revue hal-05560153v1
Spectroscopy of End-On Copper(II) Superoxido Complexes: A Wave Function-Based Analysis Léo Chaussy,Vijay Gopal Chilkuri,Stéphane Humbel,Paola Nava Inorganic Chemistry, 2024, 63 (18), pp.8038-8049. ⟨10.1021/acs.inorgchem.3c04401⟩ Article dans une revue hal-04595349v1
Diffusion Monte Carlo using domains in configuration space Roland Assaraf,Emmanuel Giner,Vijay Gopal Chilkuri,Pierre-Francois Loos,Anthony Scemamaet al. Physical Review B, 2023, 107 (3), pp.035130. ⟨10.1103/PhysRevB.107.035130⟩ Article dans une revue hal-03826402v1
TREXIO: A File Format and Library for Quantum Chemistry Evgeny Posenitskiy,Vijay Gopal Chilkuri,Abdallah Ammar,Michał Hapka,Katarzyna Pernalet al. The Journal of Chemical Physics, 2023, 158 (17), ⟨10.1063/5.0148161⟩ Article dans une revue hal-04011588v2
High-Spin Chains and Crowns from Double-Exchange Mechanism Vijay Gopal Chilkuri,Nicolas Suaud,Nathalie Guihéry Crystals, 2016, 6 (4), pp.39. ⟨10.3390/cryst6040039⟩ Article dans une revue hal-01299705v1
Engineering the magnetic coupling and anisotropy at the molecule–magnetic surface interface in molecular spintronic devices Victoria E. Campbell,Monica Tonelli,Irene Cimatti,Jean-Baptiste Moussy,Ludovic Tortechet al. Nature Communications, 2016, 7, pp.13646. ⟨10.1038/ncomms13646⟩ Article dans une revue hal-01414673v1
The Electronic Structure of Short Carbon Nanotubes: The Effects of Correlation Vijay Gopal Chilkuri,Stefano Evangelisti,Thierry Leininger,Antonio Monari Advances in Condensed Matter Physics, 2015, pp.475890. ⟨10.1155/2015/475890⟩ Article dans une revue hal-01377156v1
When a single hole aligns several spins: Double exchange in organic systems Georges Trinquier,Vijay Gopal Chilkuri,Jean-Paul Malrieu The Journal of Chemical Physics, 2014, 140, pp.204113. ⟨10.1063/1.4878498⟩ Article dans une revue hal-01071976v1
In Search of Organic Compounds Presenting a Double Exchange Phenomenon Vijay Gopal Chilkuri,Georges Trinquier,Nadia Ben Amor,Jean-Paul Malrieu,Nathalie Guihéry Journal of Chemical Theory and Computation, 2013, 9 (11), pp.4805-4815. ⟨10.1021/ct4005855⟩ Article dans une revue hal-00937326v1

Chapitre d'ouvrage (1)

Spin-adapted selected configuration interaction in a determinant basis Vijay Gopal Chilkuri,Thomas Applencourt,Kevin Gasperich,Pierre-Francois Loos,Anthony Scemama Monika Musial; Philip E. Hoggan. Advances in Quantum Chemistry: New Electron Correlation Methods and their Applications, and Use of Atomic Orbitals with Exponential Asymptotes, 83, Academic Press, pp.65-81, 2021, Advances in Quantum Chemistry, 978-0-12-823546-1. ⟨10.1016/bs.aiq.2021.04.001⟩ Chapitre d'ouvrage hal-02468242v2

Thèse (1)

Study of double exchange phenomenon: from microscopic origins to collective properties Vijay Gopal Chilkuri Chemical Physics [physics.chem-ph]. Universite Toulouse III Paul Sabatier, 2015. English. ⟨NNT : ⟩ Thèse tel-01273039v1