Results 121 to 130 of about 31,317 (214)

Bridging the gap between molecules and materials in quantum chemistry with localized active spaces. [PDF]

Nat Commun
King DS, Jangid B, Hermes MR, Gagliardi L.   +3 more
europepmc   +1 more source

A Hybrid Quantum Computing Method for UV-Vis Spectroscopy of Solvated Molecules at Room Temperature. [PDF]

J Phys Chem A
Bistafa C, M Kirsopp JJ, Márquez Romero A, Koyama J, Krompiec M.   +4 more
europepmc   +1 more source

Modeling Strong Light-Matter Coupling in Correlated Systems: State-Averaged Cavity Quantum Electrodynamics Complete Active Space Self-Consistent Field Theory. [PDF]

J Chem Theory Comput
Vu N, Ampoh K, Matoušek M, Veis L, Govind N, Foley JJ.   +5 more
europepmc   +1 more source

Exponential control of excitations for trapped BEC in the Gross-Pitaevskii regime. [PDF]

Lett Math Phys
Behrmann N, Brennecke C, Rademacher S.
europepmc   +1 more source

Enhancing Accuracy of Quantum-Selected Configuration Interaction Calculations Using Multireference Perturbation Theory: Application to Aromatic Molecules. [PDF]

ACS Omega
Shirai S, Tseng SY, Iwakiri H, Horiba T, Hirai H, Koh S.   +5 more
europepmc   +1 more source

Instanton-like effect caused by qubit-boson interaction in light of quantum simulation. [PDF]

Sci Rep
Hirokawa M.
europepmc   +1 more source

Quantum Information Theory on Sparse Wave Functions and Applications for Quantum Chemistry. [PDF]

J Phys Chem A
Materia D, Ratini L, Guidoni L.
europepmc   +1 more source

Chemist: A Domain-Specific Language by Chemists for Chemists. [PDF]

J Phys Chem A
Waldrop JM, de Jong W, Valeev EF, Windus TL, Richard RM.   +4 more
europepmc   +1 more source

Effective descriptions of bosonic systems can be considered complete. [PDF]

Nat Commun
Arzani F, Booth RI, Chabaud U.
europepmc   +1 more source

Implementing Bogoliubov Transformations Beyond the Shale-Stinespring Condition. [PDF]

J Stat Phys
Lill S.
europepmc   +1 more source