A quantum computing implementation of nuclearelectronic orbital (NEO) theory: Toward an exact pre-Born-Oppenheimer formulation of molecular quantum systems
Kovyrshin, Arseny, Skogh, Mårten, Broo, Anders, Mensa, Stefano, Sahin, Emre, Crain, Jason, Tavernelli, Ivano
Published in The Journal of chemical physics (07.06.2023)
Published in The Journal of chemical physics (07.06.2023)
Get more information
Journal Article
New Approaches for ab initio Calculations of Molecules with Strong Electron Correlation
Knecht, Stefan, Hedegård, Erik Donovan, Keller, Sebastian, Kovyrshin, Arseny, Ma, Yingjin, Muolo, Andrea, Stein, Christopher J, Reiher, Markus
Published in Chimia (01.01.2016)
Published in Chimia (01.01.2016)
Get full text
Journal Article
Analytical gradients for excitation energies from frozen-density embedding
Kovyrshin, Arseny, Neugebauer, Johannes
Published in Physical chemistry chemical physics : PCCP (21.08.2016)
Published in Physical chemistry chemical physics : PCCP (21.08.2016)
Get full text
Journal Article
Nonadiabatic Nuclear–Electron Dynamics: A Quantum Computing Approach
Kovyrshin, Arseny, Skogh, Mårten, Tornberg, Lars, Broo, Anders, Mensa, Stefano, Sahin, Emre, Symons, Benjamin C. B., Crain, Jason, Tavernelli, Ivano
Published in The journal of physical chemistry letters (10.08.2023)
Published in The journal of physical chemistry letters (10.08.2023)
Get full text
Journal Article
Toward Accurate Post-Born–Oppenheimer Molecular Simulations on Quantum Computers: An Adaptive Variational Eigensolver with Nuclear-Electronic Frozen Natural Orbitals
Nykänen, Anton, Miller, Aaron, Talarico, Walter, Knecht, Stefan, Kovyrshin, Arseny, Skogh, Mårten, Tornberg, Lars, Broo, Anders, Mensa, Stefano, Symons, Benjamin C. B., Sahin, Emre, Crain, Jason, Tavernelli, Ivano, Pavošević, Fabijan
Published in Journal of chemical theory and computation (26.12.2023)
Published in Journal of chemical theory and computation (26.12.2023)
Get full text
Journal Article
A Quantum Computing Implementation of Nuclear-Electronic Orbital (NEO) Theory: Towards an Exact pre-Born-Oppenheimer Formulation of Molecular Quantum Systems
Kovyrshin, Arseny, Skogh, Mårten, Broo, Anders, Mensa, Stefano, Sahin, Emre, Crain, Jason, Tavernelli, Ivano
Published in arXiv.org (15.02.2023)
Published in arXiv.org (15.02.2023)
Get full text
Paper
Journal Article
Nonadiabatic nuclear-electron dynamics: a quantum computing approach
Kovyrshin, Arseny, Skogh, Mårten, Tornberg, Lars, Broo, Anders, Mensa, Stefano, Sahin, Emre, Symons, Benjamin C. B, Crain, Jason, Tavernelli, Ivano
Year of Publication 02.06.2023
Year of Publication 02.06.2023
Get full text
Journal Article
Toward Accurate Post-Born-Oppenheimer Molecular Simulations on Quantum Computers: An Adaptive Variational Eigensolver with Nuclear-Electronic Frozen Natural Orbitals
Nykänen, Anton, Miller, Aaron, Talarico, Walter, Knecht, Stefan, Kovyrshin, Arseny, Skogh, Mårten, Tornberg, Lars, Broo, Anders, Mensa, Stefano, Symons, Benjamin C. B, Sahin, Emre, Crain, Jason, Tavernelli, Ivano, Pavošević, Fabijan
Year of Publication 02.10.2023
Year of Publication 02.10.2023
Get full text
Journal Article
Toward Accurate Post-Born-Oppenheimer Molecular Simulations on Quantum Computers: An Adaptive Variational Eigensolver with Nuclear-Electronic Frozen Natural Orbitals
Nykänen, Anton, Miller, Aaron, Talarico, Walter, Knecht, Stefan, Kovyrshin, Arseny, Skogh, Mårten, Tornberg, Lars, Broo, Anders, Mensa, Stefano, Symons, Benjamin C B, Sahin, Emre, Crain, Jason, Tavernelli, Ivano, Fabijan Pavošević
Published in arXiv.org (02.10.2023)
Get full text
Published in arXiv.org (02.10.2023)
Paper
New Approaches for ab initio Calculations of Molecules with Strong Electron Correlation
Knecht, Stefan, Erik Donovan Hedegård, Keller, Sebastian, Kovyrshin, Arseny, Ma, Yingjin, Muolo, Andrea, Stein, Christopher J, Reiher, Markus
Published in arXiv.org (21.04.2016)
Published in arXiv.org (21.04.2016)
Get full text
Paper
Journal Article