Revisiting the Electronic Structure of FeS Monomers Using ab Initio Ligand Field Theory and the Angular Overlap Model von Chilkuri, Vijay Gopal, DeBeer, Serena, Neese, Frank

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Engineering the magnetic coupling and anisotropy at the molecule–magnetic surface interface in molecular spintronic devices von Campbell, Victoria E., Tonelli, Monica, Cimatti, Irene, Moussy, Jean-Baptiste, Tortech, Ludovic, Dappe, Yannick J., Rivière, Eric, Guillot, Régis, Delprat, Sophie, Mattana, Richard, Seneor, Pierre, Ohresser, Philippe, Choueikani, Fadi, Otero, Edwige, Koprowiak, Florian, Chilkuri, Vijay Gopal, Suaud, Nicolas, Guihéry, Nathalie, Galtayries, Anouk, Miserque, Frederic, Arrio, Marie-Anne, Sainctavit, Philippe, Mallah, Talal

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Comparison of many‐particle representations for selected‐CI I: A tree based approach von Chilkuri, Vijay Gopal, Neese, Frank

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Comparison of Many-Particle Representations for Selected Configuration Interaction: II. Numerical Benchmark Calculations von Chilkuri, Vijay Gopal, Neese, Frank

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In Search of Organic Compounds Presenting a Double Exchange Phenomenon von Gopal Chilkuri, Vijay, Trinquier, Georges, Ben Amor, Nadia, Malrieu, Jean-Paul, Guihéry, Nathalie

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Ligand Field Theory and Angular Overlap Model Based Analysis of the Electronic Structure of Homovalent Iron–Sulfur Dimers von Chilkuri, Vijay Gopal, DeBeer, Serena, Neese, Frank

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The Electronic Structure of Short Carbon Nanotubes: The Effects of Correlation von Monari, Antonio, Leininger, Thierry, Evangelisti, Stefano, Chilkuri, Vijay Gopal

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Sulfur vs. Selenium as Bridging Ligand in Di‐Iron Complexes: A Theoretical Analysis von Spiller, Nico, Chilkuri, Vijay Gopal, DeBeer, Serena, Neese, Frank

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Spectroscopy of End-On Copper(II) Superoxido Complexes: A Wave Function-Based Analysis von Chaussy, Léo, Chilkuri, Vijay Gopal, Humbel, Stéphane, Nava, Paola

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TREXIO: A file format and library for quantum chemistry von Posenitskiy, Evgeny, Chilkuri, Vijay Gopal, Ammar, Abdallah, Hapka, Michał, Pernal, Katarzyna, Shinde, Ravindra, Landinez Borda, Edgar Josué, Filippi, Claudia, Nakano, Kosuke, Kohulák, Otto, Sorella, Sandro, de Oliveira Castro, Pablo, Jalby, William, Ríos, Pablo López, Alavi, Ali, Scemama, Anthony

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Probing the Valence Electronic Structure of Low-Spin Ferrous and Ferric Complexes Using 2p3d Resonant Inelastic X‑ray Scattering (RIXS) von Hahn, Anselm W, Van Kuiken, Benjamin E, Chilkuri, Vijay Gopal, Levin, Natalia, Bill, Eckhard, Weyhermüller, Thomas, Nicolaou, Alessandro, Miyawaki, Jun, Harada, Yoshihisa, DeBeer, Serena

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Diffusion Monte Carlo using domains in configuration space von Assaraf, Roland, Giner, Emmanuel, Chilkuri, Vijay Gopal, Loos, Pierre-François, Scemama, Anthony, Caffarel, Michel

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When a single hole aligns several spins: double exchange in organic systems von Trinquier, Georges, Chilkuri, Vijay Gopal, Malrieu, Jean-Paul

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High-Spin Chains and Crowns from Double-Exchange Mechanism von Chilkuri, Vijay Gopal, Suaud, Nicolas, Guihery, Nathalie

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Etude du phénomène de double échange : de l'origine microscopique aux propriétés collectives von Chilkuri, Vijay Gopal

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Diffusion Monte Carlo using domains in configuration space von Assaraf, Roland, Giner, Emmanuel, Chilkuri, Vijay Gopal, Loos, Pierre-François, Scemama, Anthony, Caffarel, Michel

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Spin-adapted selected configuration interaction in a determinant basis von Chilkuri, Vijay Gopal, Applencourt, Thomas, Gasperich, Kevin, Loos, Pierre-François, Scemama, Anthony

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TREXIO: A File Format and Library for Quantum Chemistry von Posenitskiy, Evgeny, Chilkuri, Vijay Gopal, Abdallah Ammar, Hapka, Michał, Pernal, Katarzyna, Shinde, Ravindra, Edgar Josué Landinez Borda, Filippi, Claudia, Nakano, Kosuke, Kohulák, Otto, Sorella, Sandro, de Oliveira Castro, Pablo, Jalby, William, Pablo López Rıós, Alavi, Ali, Scemama, Anthony

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