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Publications by A. B. Sannigrahi
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
The Formation of SiH+, PH+, and SH+ by Radiative Association
Astronomy and Astrophysics Supplement Series
Related publications
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
Valence Virtual Orbitals: An Unambiguous Ab Initio Quantification of the LUMO Concept
Journal of Physical Chemistry A
Medicine
Theoretical Chemistry
Physical
Kohn-Sham Orbitals and Potentials From Quantum Monte Carlo Molecular Densities
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
Ab Initio Localized Charge Distributions: Theory and a Detailed Analysis of the Water Dimer-Hydrogen Bond
The Journal of Physical Chemistry
The Calculation of Atomic Structuresby D. R. Hartree
Acta Crystallographica
Ab Initio Calculation of Field Emission From Metal Surfaces With Atomic-Scale Defects
Physical Review B
Optical
Electronic
Condensed Matter Physics
Magnetic Materials
Hartree–Fock Orbitals Significantly Improve the Reaction Barrier Heights Predicted by Semilocal Density Functionals
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
Ab Initio Calculation of Lattice Thermal Conductivity
Ab Initio Calculation of Tight-Binding Parameters
Materials Research Society Symposium - Proceedings
Mechanics of Materials
Materials Science
Condensed Matter Physics
Mechanical Engineering
