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Keyword [pseudopotential]
Result: 1 - 14 | Page: 1 of 1
1.
Lattice Stability And Thermal Properties Of Metals From First Principles
2.
Growth And Calculation Of Zinc Germanium Phosphide Crystals
3.
First-principles Calculations Of Tin Oxide Low-dimensional Nanostructure
4.
Ab Initio Calculations And Spectroscopic Characterization Of Systems Containing Heavy Elementsm (Manganese, Lanthanum)
5.
Nb Alloying Effect On The Basic Mechanics Properties Of α
2
, O And β
0
Phase In Ti
3
al Based Alloy
6.
Calculation On Crystalline Structure Of Spinel LiMn
2
O
4
and Al,Ti-displacing Materials And Ion-sieve Properties Of Li
+
/H
+
Exchange
7.
Preparation And Properties Of Pseudopotential Materials
8.
Orbital-Dependent-Functionals within Density Functional Theory: Methodology and Applications
9.
Pseudopotential theory and its application to non-adiabatic condensed phase simulation
10.
Investigation of theoretical basis of DFT accuracy and study of ferroelectric disordered solution by a multiscale approach
11.
Density functional theory and pseudopotential characterizations of the electron gas in two and three dimensions
12.
Computer simulations of crystal structures using density functional theory
13.
First principles simulations: Development of new density functionals and pseudopotential and formation mechanism of fullerenes
14.
Study Of Structures And Electronic Properties For Ti-Al Binary Clusters By First-principles Calculations
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