Machine Learning Accurate Exchange and Correlation Functionals of the Electronic Density

doi 10.26434/chemrxiv.9947312.v2
Full Text
Abstract

Available in full text

Date
Authors
Publisher

American Chemical Society (ACS)

Related search

Classes of Admissible Exchange-Correlation Density Functionals for Pure Spin and Angular Momentum States

International Journal of Quantum Chemistry
Condensed Matter PhysicsMolecular Physics,Theoretical ChemistryAtomicOpticsPhysical
2009English

Large-Scale Benchmark of Exchange-Correlation Functionals for the Determination of Electronic Band Gaps of Solids

Journal of Chemical Theory and Computation
Theoretical ChemistryComputer Science ApplicationsPhysical
2019English

Scaled Density Functional Theory Correlation Functionals†

Journal of Physical Chemistry A
MedicineTheoretical ChemistryPhysical
2007English

Density-Functional-Theory Response-Property Calculations With Accurate Exchange-Correlation Potentials

Physical Review A
1998English

Pseudopotentials From Orbital-Dependent Exchange-Correlation Functionals

Physical Review A
1998English

Scaling Dynamical Correlation Energy From Density Functional Theory Correlation Functionals†

Journal of Physical Chemistry A
MedicineTheoretical ChemistryPhysical
2006English

Unambiguous Exchange-Correlation Energy Density

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
1998English

Testing the Jacob's Ladder of Density Functionals for Electronic Structure and Magnetism of rutileVO2

Physical Review B
2014English

Correction to “Evaluating Transition Metal Barrier Heights With the Latest Density Functional Theory Exchange–Correlation Functionals: The MOBH35 Benchmark Database”

Journal of Physical Chemistry A
MedicineTheoretical ChemistryPhysical
2019English

Amanote Research

Note-taking for researchers

Follow Amanote

© 2024 Amaplex Software S.P.R.L. All rights reserved.

Privacy PolicyRefund Policy