Vijay gopal CHILKURI

11
Documents
Affiliations actuelles
  • Institut des Sciences Moléculaires de Marseille (ISM2)
  • Chimie Theorique et Modèles (CTOM)

Publications

Publications

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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-05081709 v1
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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-04595349 v1
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TREXIO: A File Format and Library for Quantum Chemistry

Evgeny Posenitskiy , Vijay Gopal Chilkuri , Abdallah Ammar , Michał Hapka , Katarzyna Pernal et al.
The Journal of Chemical Physics, 2023, 158 (17), ⟨10.1063/5.0148161⟩
Article dans une revue hal-04011588 v2
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Diffusion Monte Carlo using domains in configuration space

Roland Assaraf , Emmanuel Giner , Vijay Gopal Chilkuri , Pierre-Francois Loos , Anthony Scemama et al.
Physical Review B, 2023, 107 (3), pp.035130. ⟨10.1103/PhysRevB.107.035130⟩
Article dans une revue hal-03826402 v1

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-01299705 v1
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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 Tortech et al.
Nature Communications, 2016, 7, pp.13646. ⟨10.1038/ncomms13646⟩
Article dans une revue hal-01414673 v1

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-01377156 v1

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-01071976 v1

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-00937326 v1
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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-02468242 v2
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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-01273039 v1