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Publications by Michel Rérat
Ab Initio Analytical Raman Intensities for Periodic Systems Through a Coupled Perturbed Hartree-Fock/Kohn-Sham Method in an Atomic Orbital Basis. I. Theory
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
Related publications
Comparison of Ab Initio Hartree−Fock and Kohn−Sham Orbitals in the Calculation of Atomic Charge, Bond Index, and Valence
Journal of Physical Chemistry A
Medicine
Theoretical Chemistry
Physical
Molecular Symmetry. IV. The Coupled Perturbed Hartree-Fock Method
Journal of Computational Chemistry
Computational Mathematics
Chemistry
Properties of Periodic Hartree–Fock Minimizers
Calculus of Variations and Partial Differential Equations
Applied Mathematics
Analysis
Exact Generalized Kohn-Sham Theory for Hybrid Functionals
An Ab Initio Molecular Orbital Study of Lithiopyridines
Bulletin of the Chemical Society of Japan
Chemistry
Assigning Photoelectron Spectra of Transition Metal Organometallic Complexes on the Basis of Kohn-Sham Orbital Energies
Time-Dependent Orbital-Free Density Functional Theory for Electronic Stopping Power: Comparison to the Mermin-Kohn-Sham Theory at High Temperatures
Physical Review B
Optical
Electronic
Condensed Matter Physics
Magnetic Materials
On the Feasibility of Ab Initio Electronic Structure Calculations for Cu Using a Single S Orbital Basis
AIP Advances
Nanotechnology
Astronomy
Physics
Nanoscience
Calculation of the Infrared Intensity of Crystalline Systems. A Comparison of Three Strategies Based on Berry Phase, Wannier Function, and Coupled-Perturbed Kohn–Sham Methods
Journal of Physical Chemistry C
Surfaces
Energy
Nanoscience
Theoretical Chemistry
Optical
Magnetic Materials
Films
Nanotechnology
Electronic
Coatings
Physical
