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Journal of Chemical Information and Computer Sciences|January 27, 2004
Topology, connectivity, and electronic structure of C and B cages and the corresponding nanotubesF E Leys, C Amovilli, N H MarchThe Journal of Chemical Physics|December 3, 2008
Modeling the Pauli potential in the pair density functional theoryC Amovilli, A NagyThe Journal of Chemical Physics|October 12, 2004
Effective potential in density matrix functional theoryA Nagy, C AmovilliJournal of Chemical Theory and Computation|February 28, 2025
Method to Compute the Interaction Energy of a Molecule in Ground and Excited States with a Discrete Environment: The Case of Uracil in WaterClaudio Amovilli, Franca Maria FlorisThe Journal of Chemical Physics|March 26, 2008
Electron-electron cusp condition and asymptotic behavior for the Pauli potential in pair density functional theoryA Nagy, C AmovilliJournal of Chemical Theory and Computation|October 3, 2022
Method to Compute the Solute-Solvent Dispersion Contribution to the Electronic Excitation Energy in SolutionClaudio Amovilli, Franca Maria FlorisThe Journal of Physical Chemistry. A|December 24, 2014
Study of dispersion forces with quantum Monte Carlo: toward a continuum model for solvationClaudio Amovilli, Franca Maria FlorisJournal of Chemical Theory and Computation|November 24, 2015
Size-Extensive Wave Functions for Quantum Monte Carlo: A Linear Scaling Generalized Valence Bond ApproachFrancesco Fracchia, Claudia Filippi, Claudio AmovilliJournal of Chemical Theory and Computation|January 14, 2016
Multiple-Resonance Local Wave Functions for Accurate Excited States in Quantum Monte CarloHabiburrahman Zulfikri, Claudio Amovilli, Claudia FilippiJournal of Computational Chemistry|October 24, 2013
Multi-level quantum Monte Carlo wave functions for complex reactions: the decomposition of α-hydroxy-dimethylnitrosamineFrancesco Fracchia, Claudia Filippi, Claudio AmovilliPageof 395