Results 191 to 200 of about 5,285,566 (268)

Physics-Driven Construction of Compact Primitive Gaussian Density Fitting Basis Sets. [PDF]

J Chem Theory Comput
Surjuse KA, Valeev EF.
europepmc   +1 more source

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

Reduced Density Matrix and Cumulant Approximations of Quantum Linear Response. [PDF]

J Chem Theory Comput
von Buchwald TJ, Kjellgren ER, Kongsted J, Sauer SPA, Coriani S, Ziems KM.   +5 more
europepmc   +1 more source

Response of a General Restricted Open-Shell Hartree-Fock Wave Function. I: Formalism, Analytic Gradients, and Electric and Magnetic Response Properties. [PDF]

J Phys Chem A
Neese F.
europepmc   +1 more source

Correlation stabilized anomalous Hall crystal in bilayer graphene. [PDF]

Nat Commun
Guo Z, Liu J.
europepmc   +1 more source

Geometric Direct Minimization for Low-Spin Restricted Open-Shell Hartree-Fock Theory. [PDF]

J Chem Theory Comput
Burton HGA.
europepmc   +1 more source

Perspective on Many-Body Methods for Molecular Polaritonic Systems. [PDF]

J Chem Theory Comput
Bauman N, Cunha LA, DePrince AE, Flick J, Foley JJ, Govind N, Groenhof G, Hoffmann N, Kowalski K, Li X, Liebenthal M, Maitra NT, Manderna R, Matoušek M, Mazin IM, Mejia-Rodriguez D, Panyala A, Peng B, Peyton B, Veis L, Vu N, Weidman JD, Wilson AK, Zarotiadis RA, Zhang Y.   +24 more
europepmc   +1 more source

Exact Ground State of Interacting Electrons in Magic Angle Graphene. [PDF]

Commun Math Phys
Becker S, Lin L, Stubbs KD.
europepmc   +1 more source

Generating Function for Quantum Depletion of Bose-Einstein Condensates. [PDF]

J Stat Phys
Rademacher S.
europepmc   +1 more source

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

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