Results 131 to 140 of about 31,156 (175)

Quantum Statistical Mechanics of Electronically Open Molecules: Reduced Density Operators. [PDF]

J Chem Theory Comput
Pedersen J, Sannes BS, Høyvik IM.
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

Operator-Valued Twisted Araki-Woods Algebras. [PDF]

Commun Math Phys
Kumar RR, Wirth M.
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

Quantum-classical hybrid computation of electron transfer in a cryptochrome protein <i>via</i> VQE-PDFT and multiscale modeling. [PDF]

Chem Sci
Chen Y, Sheng Z, Li W, Zhang Y, Xu X, Huang JH, Li Y.   +6 more
europepmc   +1 more source

Toward a Balanced Description of Ground and Excited States with Transcorrelated F12 Methods. [PDF]

J Chem Theory Comput
Masteran C, Gaudel B, Valeev EF.
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

Computation of Exchange Couplings by Means of an Exchange-Dedicated Perturbation Theory. [PDF]

J Chem Theory Comput
Franz M, Neese F, Richert S.
europepmc   +1 more source

A Note on the Relativistic Transformation Properties of Quantum Stochastic Calculus. [PDF]

Entropy (Basel)
Gough JE.
europepmc   +1 more source

FragPT2: Multifragment Wave Function Embedding with Perturbative Interactions. [PDF]

J Chem Theory Comput
Koridon E, Sen S, Visscher L, Polla S.
europepmc   +1 more source