Francesco A. Evangelista
- P <scp>SI4</scp> 1.4: Open-source software for high-throughput quantum chemistry
2020/05/13 by Daniel G. A. Smith, Lori A. Burns, Andrew C. Simmonett +32 · 25 citations
Chemical Engineering · Physics and Astronomy · #Advanced Chemical Physics Studies #Catalysis and Oxidation Reactions #Spectroscopy and Quantum Chemical Studies
- Unitary Coupled Cluster: Seizing the Quantum Moment
2023/05/01 by Ilias Magoulas, Francesco A. Evangelista, Magoulas, Ilias +1 · 5 citations
Computer Science · Physics and Astronomy · #physics.chem-ph #quant-ph
- A Combined Selected Configuration Interaction and Many-Body Treatment of Static and Dynamical Correlation in Oligoacenes
2018/08/28 by Jeffrey B. Schriber, Schriber, Jeffrey B., Kevin P. Hannon +3 · 2 citations
Chemistry · Physics and Astronomy · #Advanced Chemical Physics Studies #Advanced NMR Techniques and Applications #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Spectroscopy and Quantum Chemical Studies
- Improving the efficiency of the multireference driven similarity renormalization group via sequential transformation, density fitting, and the non-interacting virtual orbital approximation
2019/03/27 by Tianyuan Zhang, Zhang, Tianyuan, Chenyang Li +3 · 2 citations
Chemistry · Physics and Astronomy · #Advanced Chemical Physics Studies #Advanced NMR Techniques and Applications #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Spectroscopy and Quantum Chemical Studies
- A deterministic projector configuration interaction approach for the ground state of quantum many-body systems
2016/06/27 by Tianyuan Zhang, Francesco A. Evangelista, Zhang, Tianyuan +1 · 1 citation
Physics and Astronomy · #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Physics of Superconductivity and Magnetism #Quantum many-body systems #Spectroscopy and Quantum Chemical Studies
- Analytic energy gradients for the driven similarity renormalization group multireference second-order perturbation theory
2021/09/29 by Shuhe Wang, Chenyang Li, Wang, Shuhe +3 · 1 citation
Physics and Astronomy · #Advanced Chemical Physics Studies #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Spectroscopy and Quantum Chemical Studies #Strong Light-Matter Interactions
- CNOT-Efficient Circuits for Arbitrary Rank Many-Body Fermionic and Qubit Excitations
2022/10/11 by Ilias Magoulas, Magoulas, Ilias, Francesco A. Evangelista +1 · 1 citation
Computer Science · Physics and Astronomy · #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Physics of Superconductivity and Magnetism #Quantum Computing Algorithms and Architecture #Quantum Physics (quant-ph) #Quantum and electron transport phenomena