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Journal of Chemical Theory and Computation|April 22, 2021
Comparison of Many-Particle Representations for Selected Configuration Interaction: II. Numerical Benchmark CalculationsVijay Gopal Chilkuri, Frank Neese
Journal of Computational Chemistry|March 25, 2021
Comparison of many-particle representations for selected-CI I: A tree based approachVijay Gopal Chilkuri, Frank Neese
Inorganic Chemistry|August 23, 2017
Revisiting the Electronic Structure of FeS Monomers Using ab Initio Ligand Field Theory and the Angular Overlap ModelVijay Gopal Chilkuri, Serena DeBeer, Frank Neese
Inorganic Chemistry|June 29, 2019
Ligand Field Theory and Angular Overlap Model Based Analysis of the Electronic Structure of Homovalent Iron-Sulfur DimersVijay Gopal Chilkuri, Serena DeBeer, Frank Neese
Journal of Chemical Theory and Computation|June 23, 2025
Treating Spin-Orbit Coupling and Spin-Spin Coupling in the Framework of the Iterative Configuration Expansion Selected CILucas Lang, Vijay Gopal Chilkuri, Frank Neese
The Journal of Chemical Physics|June 2, 2014
When a single hole aligns several spins: double exchange in organic systemsGeorges Trinquier, Vijay Gopal Chilkuri, Jean-Paul Malrieu
The Journal of Chemical Physics|April 11, 2025
Approximations of density matrices in N-electron valence state second-order perturbation theory (NEVPT2). III. Large active space calculations with selected configuration interaction referenceYang Guo, Kantharuban Sivalingam, Vijay Gopal Chilkuri, et al.
Inorganic Chemistry|April 25, 2024
Spectroscopy of End-On Copper(II) Superoxido Complexes: A Wave Function-Based AnalysisLéo Chaussy, Vijay Gopal Chilkuri, Stéphane Humbel, et al.
Journal of Chemical Theory and Computation|November 20, 2015
In Search of Organic Compounds Presenting a Double Exchange PhenomenonVijay Gopal Chilkuri, Georges Trinquier, Nadia Ben Amor, et al.
Inorganic Chemistry|July 26, 2018
Probing the Valence Electronic Structure of Low-Spin Ferrous and Ferric Complexes Using 2p3d Resonant Inelastic X-ray Scattering (RIXS)Anselm W Hahn, Benjamin E Van Kuiken, Vijay Gopal Chilkuri, et al.
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