NECI: N-Electron Configuration Interaction with an emphasis on state-of-the-art stochastic methods
Guther, Kai, Anderson, Robert J., Blunt, Nick S., Bogdanov, Nikolay A., Cleland, Deidre, Dattani, Nike, Dobrautz, Werner, Ghanem, Khaldoon, Jeszenszki, Peter, Liebermann, Niklas, Manni, Giovanni Li, Lozovoi, Alexander Y., Luo, Hongjun, Ma, Dongxia, Merz, Florian, Overy, Catherine, Rampp, Markus, Samanta, Pradipta Kumar, Schwarz, Lauretta R., Shepherd, James J., Smart, Simon D., Vitale, Eugenio, Weser, Oskar, Booth, George H., Alavi, Ali
Published in The Journal of chemical physics (21.07.2020)
Published in The Journal of chemical physics (21.07.2020)
Get full text
Journal Article
FCIQMC-Tailored Distinguishable Cluster Approach
Vitale, Eugenio, Alavi, Ali, Kats, Daniel
Published in Journal of chemical theory and computation (08.09.2020)
Published in Journal of chemical theory and computation (08.09.2020)
Get full text
Journal Article
FCIQMC-Tailored Distinguishable Cluster Approach: Open-Shell Systems
Vitale, Eugenio, Li Manni, Giovanni, Alavi, Ali, Kats, Daniel
Published in Journal of chemical theory and computation (14.06.2022)
Published in Journal of chemical theory and computation (14.06.2022)
Get full text
Journal Article
Stress Relief and Reactivity Loss of Hydrated Anatase (001) Surface
Vitale, Eugenio, Zollo, Giuseppe, Agosta, Lorenzo, Gala, Fabrizio, Brandt, Erik G, Lyubartsev, Alexander
Published in Journal of physical chemistry. C (04.10.2018)
Published in Journal of physical chemistry. C (04.10.2018)
Get full text
Journal Article
NECI: N-Electron Configuration Interaction with emphasis on state-of-the-art stochastic methods
Guther, Kai, Anderson, Robert J, Blunt, Nick S, Bogdanov, Nikolay A, Cleland, Deidre, Dattani, Nike, Dobrautz, Werner, Ghanem, Khaldoon, Jeszenski, Peter, Liebermann, Niklas, Giovanni Li Manni, Lozovoi, Alexander Y, Luo, Hongjun, Ma, Dongxia, Merz, Florian, Overy, Catherine, Rampp, Markus, Samanta, Pradipta K, Schwarz, Lauretta R, Shepherd, James J, Smart, Simon D, Vitale, Eugenio, Weser, Oskar, Booth, George H, Alavi, Ali
Published in arXiv.org (26.06.2020)
Published in arXiv.org (26.06.2020)
Get full text
Paper
Journal Article