Results 171 to 180 of about 5,285,566 (268)

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

pyEF: A Python Framework for QM and QM/MM Atom-Wise Electric Field Analysis. [PDF]

J Chem Theory Comput
Manetsch MT, Kastner DW, Román-Leshkov Y, Kulik HJ.   +3 more
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

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

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

A note on spontaneous symmetry breaking in the mean-field Bose gas. [PDF]

Lett Math Phys
Deuchert A, Nam PT, Napiórkowski M.
europepmc   +1 more source

Formulation of an Efficient O(<i>M</i>⁴)-Scaling Explicitly Correlated MP2-F12 Correction by Combining Numerical Quadrature with Density Fitting and CABS-RI. [PDF]

J Chem Theory Comput
Urban L, Laqua H, Thompson TH, Ochsenfeld C.   +3 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