Zobrazeno 1 - 10
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pro vyhledávání: '"Cotton, Stephen J."'
Autor:
Talbot, Justin J., Cheshire, Thomas P., Cotton, Stephen J., Houle, Frances A., Head-Gordon, Martin
The successful use of molecular dyes for solar energy conversion requires efficient charge injection, which in turn requires the formation of states with sufficiently long lifetimes (e.g. triplets). The molecular structure elements that confer this p
Externí odkaz:
http://arxiv.org/abs/2406.12234
The quantum chemistry community has developed analytic forces for approximate electronic excited states to enable walking on excited state potential energy surfaces (PES). One can thereby computationally characterize excited state minima and saddle p
Externí odkaz:
http://arxiv.org/abs/2308.06475
The primary computational challenge when simulating nonadiabatic ab initio molecular dynamics is the unfavorable compute costs of electronic structure calculations with molecular size. Simple electronic structure theories, like time-dependent density
Externí odkaz:
http://arxiv.org/abs/2209.11831
Autor:
Cotton, Stephen J.
This work develops and illustrates a new method of calculating "chemically accurate" electronic wavefunctions (and energies) via a truncated full configuration interaction (CI) procedure which arguably circumvents the large matrix diagonalization tha
Externí odkaz:
http://arxiv.org/abs/2207.12587
Determining Hamiltonian ground states and energies is a challenging task with many possible approaches on quantum computers. While variational quantum eigensolvers are popular approaches for near term hardware, adiabatic state preparation is an alter
Externí odkaz:
http://arxiv.org/abs/2108.13056
Quantum computation promises to provide substantial speedups in many practical applications with a particularly exciting one being the simulation of quantum many-body systems. Adiabatic state preparation (ASP) is one way that quantum computers could
Externí odkaz:
http://arxiv.org/abs/2103.12059
Autor:
Klymko, Katherine, Mejuto-Zaera, Carlos, Cotton, Stephen J., Wudarski, Filip, Urbanek, Miroslav, Hait, Diptarka, Head-Gordon, Martin, Whaley, K. Birgitta, Moussa, Jonathan, Wiebe, Nathan, de Jong, Wibe A., Tubman, Norm M.
In this work we present a detailed analysis of variational quantum phase estimation (VQPE), a method based on real-time evolution for ground and excited state estimation on near-term hardware. We derive the theoretical ground on which the approach st
Externí odkaz:
http://arxiv.org/abs/2103.08563
Autor:
Arute, Frank, Arya, Kunal, Babbush, Ryan, Bacon, Dave, Bardin, Joseph C., Barends, Rami, Bengtsson, Andreas, Boixo, Sergio, Broughton, Michael, Buckley, Bob B., Buell, David A., Burkett, Brian, Bushnell, Nicholas, Chen, Yu, Chen, Zijun, Chen, Yu-An, Chiaro, Ben, Collins, Roberto, Cotton, Stephen J., Courtney, William, Demura, Sean, Derk, Alan, Dunsworth, Andrew, Eppens, Daniel, Eckl, Thomas, Erickson, Catherine, Farhi, Edward, Fowler, Austin, Foxen, Brooks, Gidney, Craig, Giustina, Marissa, Graff, Rob, Gross, Jonathan A., Habegger, Steve, Harrigan, Matthew P., Ho, Alan, Hong, Sabrina, Huang, Trent, Huggins, William, Ioffe, Lev B., Isakov, Sergei V., Jeffrey, Evan, Jiang, Zhang, Jones, Cody, Kafri, Dvir, Kechedzhi, Kostyantyn, Kelly, Julian, Kim, Seon, Klimov, Paul V., Korotkov, Alexander N., Kostritsa, Fedor, Landhuis, David, Laptev, Pavel, Lindmark, Mike, Lucero, Erik, Marthaler, Michael, Martin, Orion, Martinis, John M., Marusczyk, Anika, McArdle, Sam, McClean, Jarrod R., McCourt, Trevor, McEwen, Matt, Megrant, Anthony, Mejuto-Zaera, Carlos, Mi, Xiao, Mohseni, Masoud, Mruczkiewicz, Wojciech, Mutus, Josh, Naaman, Ofer, Neeley, Matthew, Neill, Charles, Neven, Hartmut, Newman, Michael, Niu, Murphy Yuezhen, O'Brien, Thomas E., Ostby, Eric, Pató, Bálint, Petukhov, Andre, Putterman, Harald, Quintana, Chris, Reiner, Jan-Michael, Roushan, Pedram, Rubin, Nicholas C., Sank, Daniel, Satzinger, Kevin J., Smelyanskiy, Vadim, Strain, Doug, Sung, Kevin J., Schmitteckert, Peter, Szalay, Marco, Tubman, Norm M., Vainsencher, Amit, White, Theodore, Vogt, Nicolas, Yao, Z. Jamie, Yeh, Ping, Zalcman, Adam, Zanker, Sebastian
Strongly correlated quantum systems give rise to many exotic physical phenomena, including high-temperature superconductivity. Simulating these systems on quantum computers may avoid the prohibitively high computational cost incurred in classical app
Externí odkaz:
http://arxiv.org/abs/2010.07965
Autor:
Mejuto-Zaera, Carlos, Weng, Guorong, Romanova, Mariya, Cotton, Stephen J., Whaley, K. Birgitta, Tubman, Norm M., Vlček, Vojtěch
Publikováno v:
J. Chem. Phys. 154, 121101 (2021)
Photo-emission spectroscopy directly probes individual electronic states, ranging from single excitations to high-energy satellites, which simultaneously represent multiple quasiparticles (QPs) and encode information about electronic correlation. Fir
Externí odkaz:
http://arxiv.org/abs/2009.02401
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