@article{gopal2013search,
title = {In search of organic compounds presenting a double exchange phenomenon},
author = {Gopal Chilkuri, Vijay and Trinquier, Georges and Ben Amor, Nadia and Malrieu, Jean-Paul and Guih{\'e}ry, Nathalie},
journal = {Journal of Chemical Theory and Computation},
volume = {9},
number = {11},
pages = {4805--4815},
year = {2013},
publisher = {American Chemical Society}
}
@article{trinquier2014single,
title = {When a single hole aligns several spins: Double exchange in organic systems},
author = {Trinquier, Georges and Chilkuri, Vijay Gopal and Malrieu, Jean-Paul},
journal = {The Journal of Chemical Physics},
volume = {140},
number = {20},
year = {2014},
publisher = {AIP Publishing}
}
@article{chilkuri2015electronic,
title = {The electronic structure of short carbon nanotubes: the effects of correlation},
author = {Chilkuri, Vijay Gopal and Evangelisti, Stefano and Leininger, Thierry and Monari, Antonio},
journal = {Advances in Condensed Matter Physics},
volume = {2015},
year = {2015},
publisher = {Hindawi}
}
@phdthesis{chilkuri2016study,
title = {Study of double exchange phenomenon: from microscopic origins to collective properties},
author = {CHILKURI, Vijay Gopal},
year = {2016},
school = {University of Toulouse III}
}
@phdthesis{chilkuri2015etude,
title = {Etude du ph{\'e}nom{\`e}ne de double {\'e}change: de l'origine microscopique aux propri{\'e}t{\'e}s collectives},
author = {Chilkuri, Vijay Gopal},
year = {2015},
school = {Toulouse 3}
}
@article{chilkuri2016high,
title = {High-Spin chains and crowns from double-exchange mechanism},
author = {Chilkuri, Vijay Gopal and Suaud, Nicolas and Guih{\'e}ry, Nathalie},
journal = {Crystals},
volume = {6},
number = {4},
pages = {39},
year = {2016},
publisher = {MDPI}
}
@article{campbell2016engineering,
title = {Engineering the magnetic coupling and anisotropy at the molecule--magnetic surface interface in molecular spintronic devices},
author = {Campbell, Victoria E and Tonelli, Monica and Cimatti, Irene and Moussy, Jean-Baptiste and Tortech, Ludovic and Dappe, Yannick J and Rivi{\`e}re, Eric and Guillot, R{\'e}gis and Delprat, Sophie and Mattana, Richard and others},
journal = {Nature Communications},
volume = {7},
number = {1},
pages = {13646},
year = {2016},
publisher = {Nature Publishing Group UK London}
}
@article{chilkuri2017revisiting,
title = {Revisiting the electronic structure of FeS monomers using ab Initio ligand field theory and the angular overlap model},
author = {Chilkuri, Vijay Gopal and DeBeer, Serena and Neese, Frank},
journal = {Inorganic chemistry},
volume = {56},
number = {17},
pages = {10418--10436},
year = {2017},
publisher = {American Chemical Society}
}
@article{hahn2018probing,
title = {Probing the valence electronic structure of low-spin ferrous and ferric complexes using 2p3d resonant inelastic X-ray scattering (RIXS)},
author = {Hahn, Anselm W and Van Kuiken, Benjamin E and Chilkuri, Vijay Gopal and Levin, Natalia and Bill, Eckhard and Weyhermüller, Thomas and Nicolaou, Alessandro and Miyawaki, Jun and Harada, Yoshihisa and DeBeer, Serena},
journal = {Inorganic Chemistry},
volume = {57},
number = {15},
pages = {9515--9530},
year = {2018},
publisher = {American Chemical Society}
}
@article{chilkuri2019ligand,
title = {Ligand Field Theory and Angular Overlap Model Based Analysis of the Electronic Structure of Homovalent Iron--Sulfur Dimers},
author = {Chilkuri, Vijay Gopal and DeBeer, Serena and Neese, Frank},
journal = {Inorganic Chemistry},
volume = {59},
number = {2},
pages = {984--995},
year = {2019},
publisher = {American Chemical Society}
}
@article{derosha2019planar,
title = {Planar three-coordinate iron sulfide in a synthetic [4Fe-3S] cluster with biomimetic reactivity},
author = {DeRosha, Daniel E and Chilkuri, Vijay G and Van Stappen, Casey and Bill, Eckhard and Mercado, Brandon Q and DeBeer, Serena and Neese, Frank and Holland, Patrick L},
journal = {Nature chemistry},
volume = {11},
number = {11},
pages = {1019--1025},
year = {2019},
publisher = {Nature Publishing Group UK London}
}
@article{spiller2020sulfur,
title = {Sulfur vs. Selenium as Bridging Ligand in Di-Iron Complexes: A Theoretical Analysis},
author = {Spiller, Nico and Chilkuri, Vijay Gopal and DeBeer, Serena and Neese, Frank},
journal = {European Journal of Inorganic Chemistry},
volume = {2020},
number = {15-16},
pages = {1525--1538},
year = {2020}
}
@incollection{neese20204,
author = {Neese, Frank and Lang, Lucas and Chilkuri, Vijay Gopal},
title = {Effective Hamiltonians in Chemistry},
editor = {Jan Fagerberg and David C. Mowery and Richard R. Nelson},
booktitle = {Lecture Notes of the Autumn School on Correlated Electrons 2020 - Topology, Entanglement, and Strong Correlations},
year = {2020}
}
@article{gopal2018spin,
title = {Spin-adapted selected configuration interaction in a determinant basis},
author = {Gopal Chilkuri, Vijay and Applencourt, Thomas and Gasperich, Kevin and Loos, Pierre-Fran{\c{c}}ois and Scemama, Anthony},
journal = {arXiv e-prints},
pages = {arXiv--1812},
year = {2018}
}
@incollection{chilkuri2021spin,
title = {Spin-adapted selected configuration interaction in a determinant basis},
author = {Chilkuri, Vijay Gopal and Applencourt, Thomas and Gasperich, Kevin and Loos, Pierre-Francois and Scemama, Anthony},
booktitle = {Advances in Quantum Chemistry},
volume = {83},
pages = {65--81},
year = {2021},
publisher = {Academic Press}
}
@article{chilkuri2021comparison1,
title = {Comparison of many-particle representations for selected-CI I: A tree based approach},
author = {Chilkuri, Vijay Gopal and Neese, Frank},
journal = {Journal of Computational Chemistry},
volume = {42},
number = {14},
pages = {982--1005},
year = {2021},
publisher = {John Wiley \& Sons, Inc. Hoboken, USA}
}
@article{chilkuri2021comparison2,
title = {Comparison of many-particle representations for selected configuration interaction: II. Numerical benchmark calculations},
author = {Chilkuri, Vijay Gopal and Neese, Frank},
journal = {Journal of Chemical Theory and Computation},
volume = {17},
number = {5},
pages = {2868--2885},
year = {2021},
publisher = {American Chemical Society}
}
@article{assaraf2023diffusion,
title = {Diffusion Monte Carlo using domains in configuration space},
author = {Assaraf, Roland and Giner, Emmanuel and Chilkuri, Vijay Gopal and Loos, Pierre-Francois and Scemama, Anthony and Caffarel, Michel},
journal = {Physical Review B},
volume = {107},
number = {3},
pages = {035130},
year = {2023},
publisher = {American Physical Society}
}
@article{posenitskiy2023trexio,
title = {TREXIO: A file format and library for quantum chemistry},
author = {Posenitskiy, Evgeny and Chilkuri, Vijay Gopal and Ammar, Abdallah and Hapka, Micha{\l} and Pernal, Katarzyna and Shinde, Ravindra and Landinez Borda, Edgar Josu{\'e} and Filippi, Claudia and Nakano, Kosuke and Kohul{\'a}k, Otto and others},
journal = {The Journal of chemical physics},
volume = {158},
number = {17},
year = {2023},
publisher = {AIP Publishing}
}
@article{aravena2019casscf,
title = {CASSCF Calculations in ORCA (4.2): A tutorial Introduction},
author = {Aravena, D and Atanasov, M and Chilkuri, VG and Guo, Y and Jung, J and Maganas, D and Mondal, B and Schapiro, I and Sivalingam, K and Ye, S and others},
journal = {Available at the following: https://orcaforum. kofo. mpg. de/app. php/dlext},
year = {2019}
}
@article{chaussy_spectroscopy_2024,
title = {Spectroscopy of End-On Copper({II}) Superoxido Complexes: A Wave Function-Based Analysis},
author = {Chaussy, Léo and Chilkuri, Vijay Gopal and Humbel, Stéphane and Nava, Paola},
volume = {63},
pages = {8038--8049},
number = {18},
journal = {Inorganic Chemistry},
date = {2024-05-06},
publisher = {American Chemical Society},
}
This file was generated by bibtex2html 1.99.