Vijay gopal CHILKURI

Publications

Article dans une revue (9)

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
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

Pré-publication, Document de travail (1)

QMCkl: A Kernel Library for Quantum Monte Carlo Applications Emiel Slootman,Vijay Gopal Chilkuri,Aurelien Delval,Max Hoffer,Tommaso Gorniet al. 2025 Pré-publication, Document de travail hal-05425364v1

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