Results 151 to 160 of about 6,172 (209)

A Linear-Scaling Integral-Direct Explicitly Correlated Second-Order Møller-Plesset Approach. [PDF]

J Chem Theory Comput
Kállay M, Nagy PR, Ladóczki B, Mester D.   +3 more
europepmc   +1 more source

Magnetism and hidden quantum geometry in charge neutral twisted trilayer graphene. [PDF]

Sci Rep
Wania Rodrigues A, Bieniek M, Miravet D, Hawrylak P.   +3 more
europepmc   +1 more source

A Mathematical Analysis of IPT-DMFT. [PDF]

Commun Math Phys
Cancès E, Kirsch A, Perrin-Roussel S.
europepmc   +1 more source

Cavity Born-Oppenheimer Coupled Cluster Theory: Toward Electron Correlation in the Vibrational Strong Light-Matter Coupling Regime. [PDF]

J Chem Theory Comput
Fischer EW.
europepmc   +1 more source

Spectrum of the [Formula: see text]-Neumann Laplacian on the Fock space.

J Math Anal Appl, 2013
Haslinger F.
europepmc   +1 more source

Rega: A Platform for the Prediction of the Regioselectivity of C-H Functionalization Reactions. [PDF]

J Chem Inf Model
Walton PJ, Tatin H, Baxter A, Ermanis K, Denton RM, Hirst JD.   +5 more
europepmc   +1 more source

SAP-X2C: Optimally-Simple Two-Component Relativistic Hamiltonian with Size-Intensive Picture Change. [PDF]

J Chem Theory Comput
Surjuse KA, Valeev EF.
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

Convergence and Properties of Intrinsic Bond Orbitals in Solids. [PDF]

J Chem Theory Comput
Wöckinger B, Rumpf A, Schäfer T.
europepmc   +1 more source

A one-electron perspective on dative and ionic bonding. [PDF]

Chem Sci
Barrena-Espés D, Francisco E, Martín Pendás Á.   +2 more
europepmc   +1 more source