Results 151 to 160 of about 31,156 (175)

Combining Density Functional Embedding Theory and DMRG-NEVPT2 to Treat Large Active Spaces: Addressing Electronic Structure Complexity in Single-Atom Alloys. [PDF]

J Chem Theory Comput
Hutchison P, Wei Z, Carter EA.
europepmc   +1 more source

Contextual subspace variational quantum eigensolver calculation of the dissociation curve of molecular nitrogen on a superconducting quantum computer. [PDF]

npj Quantum Inf
Weaving T, Ralli A, Love PJ, Succi S, Coveney PV.   +4 more
europepmc   +1 more source

Efficient Implementation of Approximate Fourth Order <i>N</i>-Electron Valence State Perturbation Theory. [PDF]

J Chem Theory Comput
Kempfer EM, Sivalingam K, Neese F.
europepmc   +1 more source

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Hartree-Fock on a superconducting qubit quantum computer

Science, 2020
Ryan Babbush, Rami Barends, Andrew Dunsworth   +2 more
exaly  

Observation of many-body Fock space dynamics in two dimensions

Nature Physics, 2023

exaly  

Hartree-Fock study of the moiré Hubbard model for twisted bilayer transition metal dichalcogenides

Physical Review B, 2021
Jiawei Zang, Jie Wang, Jennifer Cano
exaly  

Characterization and Generation of Local Occupied and Virtual Hartree–Fock Orbitals

Chemical Reviews, 2016
Ida-Marie Høyvik
exaly  

Efficient, approximate and parallel Hartree–Fock and hybrid DFT calculations. A ‘chain-of-spheres’ algorithm for the Hartree–Fock exchange

Chemical Physics, 2009
Frank Neese
exaly