Researchain
Decentralized Journals
A
Archives
Welcome to Researchain!
Feedback Center
Decentralized Journals
A
Archives
Updated
Materials Theory
Development of a Kohn-Sham like potential in the Self-Consistent Atomic Deformation Model
M. J. Mehl
,
L. L. Boyer
,
H. T. Stokes
Abstract
This is a brief description of how to derive the local ``atomic'' potentials from the Self-Consistent Atomic Deformation (SCAD) model density function. Particular attention is paid to the spherically averaged case.
Full PDF
Related Researches
The Adsorption of H2O on TiO2 and SnO2(110) Studied by First-Principles Calculations
by
J. Goniakowski
The Influence of Gradient Corrections on Bulk and Surface Properties of TiO2 and SnO2
by
J. Goniakowski
Spin-dependent resonant tunneling through semimetallic ErAs quantum wells
by
A. G. Petukhov
Band structure analysis of the conduction-band mass anisotropy in 6H and 4H SiC
by
Walter R. L. Lambrecht
Towards a Linear-Scaling DFT Technique: The Density Matrix Approach
by
E. Hernandez
Interlayer Coupling in Magnetic/Pd Multilayers
by
Zhu-Pei Shi
Water Chemisorption and Reconstruction of the MgO Surface
by
K. Refson
Localization and band-gap pinning in semiconductor superlattices with layer-thickness fluctuations
by
K. A. Mader
Six-Dimensional Quantum Dynamics of Adsorption and Desorption of H_2 at Pd(100): Steering and Steric Effects
by
Axel Gross
The Ab-Initio Simulation of the Liquid Ga-Se System
by
J. M. Holender
Insulator-metal transition in solid hydrogen: Implication of electronic structure calculations for recent experiments
by
I.I. Mazin
Structural and Magnetic Properties of Trigonal Iron
by
S. Fox
Spin-polarization-induced structural selectivity in Pd 3 X and Pt 3 X ( X=3d ) compounds
by
Z. W. Lu
Ab-initio simulation of high-temperature liquid selenium
by
F. Kirchhoff
Large Scale Electronic Structure Calculations with Multigrid Acceleration
by
E. L. Briggs
Real-Space Adaptive-Coordinate Electronic Structure Calculations
by
Francois Gygi
Molecular geometry optimization with a genetic algorithm
by
D.M.Deaven
Mechanism of Laser Induced Compaction
by
G. Gallatin
Complex ion formation in liquid Ag-Se alloys
by
F. Kirchhoff
Monte-Carlo simulations of the recombination dynamics in porous silicon
by
H. Eduardo Roman
Chemical Hardness, Linear Response, and Pseudopotential Transferability
by
A. Filippetti
The Structure of the Stoichiometric and Reduced SnO2 (110) Surface
by
I. Manassidis
Metastability of NbN in the ordered vacancy NbO phase
by
E.C. Ethridge
Ferroelectric Phase Transitions from First Principles
by
K. M. Rabe
«
1
2
3
4
»
Submitted on 29 Jan 1996
Updated
arXiv.org
Original Source
NASA ADS
Google Scholar
Semantic Scholar