Publications of Vijay Gopal Chilkuri

Lang, L.; Chilkuri, V. G.; Neese, F.: Treating Spin–Orbit Coupling and Spin–Spin Coupling in the Framework of the Iterative Configuration Expansion Selected CI. Journal of Chemical Theory and Computation 21 (13), pp. 6482 - 6504 (2025)

Chilkuri, V. G.; Neese, F.: Comparison of many‐particle representations for selected‐CI I: A tree based approach. Journal of Computational Chemistry 42 (14), pp. 982 - 1005 (2021)

Chilkuri, V. G.; Neese, F.: Comparison of Many-Particle Representations for Selected Configuration Interaction: II. Numerical Benchmark Calculations. Journal of Chemical Theory and Computation 17 (5), pp. 2868 - 2885 (2021)

Spiller, N.; Chilkuri, V. G.; DeBeer, S.; Neese, F.: Sulfur vs. Selenium as Bridging Ligand in Di‐Iron Complexes: A Theoretical Analysis. European Journal of Inorganic Chemistry 2020 (15-16), pp. 1525 - 1538 (2020)

Chilkuri, V. G.; DeBeer, S.; Neese, F.: Ligand Field Theory and Angular Overlap Model Based Analysis of the Electronic Structure of Homovalent Iron–Sulfur Dimers. Inorganic Chemistry 59 (2), pp. 984 - 995 (2020)

DeRosha, D. E.; Chilkuri, V. G.; Van Stappen, C.; Bill, E.; Mercado, B. Q.; DeBeer, S.; Neese, F.; Holland, P. L.: Planar three-coordinate iron sulfide in a synthetic [4Fe-3S] cluster with biomimetic reactivity. Nature Chemistry 11 (11), pp. 1019 - 1025 (2019)

Hahn, A. W.; Van Kuiken, B. E.; Chilkuri, V. G.; Levin, N.; Bill, E.; Weyhermüller, T.; Nicolaou, A.; Miyawaki, J.; Harada, Y.; DeBeer, S.: Probing the Valence Electronic Structure of Low-Spin Ferrous and Ferric Complexes Using 2p3d Resonant Inelastic X-ray Scattering (RIXS). Inorganic Chemistry 57 (15), pp. 9515 - 9530 (2018)

Neese, F.; Lang, L.; Chilkuri, V. G.: Effective Hamiltonians in Chemistry, Topology, Entanglement, and Strong Correlations. Modeling and Simulation, Vol. 10 10, (2020)