Results 141 to 150 of about 31,156 (175)

Wavefunction Optimization at the Complete Basis Set Limit with Multiwavelets and DMRG. [PDF]

J Phys Chem A
Nibbi M, Frediani L, Dinvay E, Mendl CB.
europepmc   +1 more source

Efficient Implementation of the Spin-Free Renormalized Internally-Contracted Multireference Coupled Cluster Theory. [PDF]

J Phys Chem A
Szenes K, Kayal R, Sivalingam K, Feldmann R, Neese F, Reiher M.   +5 more
europepmc   +1 more source

Physics-informed transformers for electronic quantum states. [PDF]

Nat Commun
Sobral JA, Perle M, Scheurer MS.
europepmc   +1 more source

Stochastic-SplitGAS: A Quantum Monte Carlo Multi-Reference Perturbation Theory Based on the Imaginary-Time Evolution of Effective Hamiltonians. [PDF]

J Chem Theory Comput
Bonfirraro L, Weser O, Song M, Li Manni G.   +3 more
europepmc   +1 more source

A Complete Active Space Self-Consistent Field Approach for Molecules in QED Environments. [PDF]

J Chem Theory Comput
Alessandro R, Castagnola M, Koch H, Ronca E.   +3 more
europepmc   +1 more source

Non-commutative L p spaces and Grassmann stochastic analysis. [PDF]

Probab Theory Relat Fields
De Vecchi F, Fresta L, Gordina M, Gubinelli M.   +3 more
europepmc   +1 more source

Learning the One-Electron Reduced Density Matrix at SCF Convergence Thresholds. [PDF]

J Chem Theory Comput
Rana B, Viot N, Martinez B JA, Shao X, Ramos P, Pavanello M.   +5 more
europepmc   +1 more source

Experimental quantum-enhanced kernel-based machine learning on a photonic processor. [PDF]

Nat Photonics
Yin Z, Agresti I, de Felice G, Brown D, Toumi A, Pentangelo C, Piacentini S, Crespi A, Ceccarelli F, Osellame R, Coecke B, Walther P.   +11 more
europepmc   +1 more source

From Quantum Curves to Topological String Partition Functions II. [PDF]

Ann Henri Poincare
Coman I, Longhi P, Teschner J.
europepmc   +1 more source

Occurrence and Impact of Electric-Field-Induced Discontinuities in Correlation Energies from Localized Pair-Natural-Orbital Methods. [PDF]

J Phys Chem A
Madriaga JP, Crawford TD.
europepmc   +1 more source