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Pseudopotential
The Empirical Pseudopotential Method
The Plane-Wave Pseudopotential Method
Introduction to DFT and the Plane-Wave Pseudopotential Method
The Plane-Wave Pseudopotential Method
Car-Parrinello Molecular Dynamics
Qbox (Qb@Ll Branch)
Empirical Pseudopotential Method
Pseudopotential Theory of Semiconductor Quantum Dots Alex Zunger
Quantum Espresso Intro Student Cluster Competition
VASP: Basics (DFT, PW, PAW, … )
Norm-Conserving Pseudopotentials with Chemical Accuracy Compared to All-Electron Calculations Alex Willand, Yaroslav O
Highly Accurate Local Pseudopotentials of Li, Na, and Mg for Orbital Free Density Functional Theory
Architecture of Qbox, a Parallel, Scalable first- Principles Molecular Dynamics (FPMD) Code
Ab Initio Calculation of Equilibrium Isotopic Fractionations of Potassium and Rubidium in Minerals and Water † ‡ ‡ † † § ‡ ∥ ⊥ Hao Zeng, , Viktor F
The Pseudopotential in Resonant Regimes Ludovic Pricoupenko
The Application of Car-Parrinello Molecular Dynamics to the Study of Tetrahedral Amorphous Carbon
Pybigdft Documentation Release 0.1
Notes on Pseudopotential Generation
Top View
The Pseudopotential-Density-Functional Method Applied to Semiconducting Crystals
Exact Solution of the Thomas-Fermi Equation for a Trapped Bose-Einstein Condensate with Dipole-Dipole Interactions
Computation of the Ground-State Energy by CPMD
Notes on Pseudopotential Generation
The Plane-Wave Pseudopotential Method
Daubechies Wavelets As a Basis Set for Density Functional
CPMD Car-Parrinello Molecular Dynamics
***Practical Density Functional Theory with Plane Waves)*** Natalie A
Application of the Pseudopotential Method to Atomic Scattering. Panayiotis Sophocleous Laghos Louisiana State University and Agricultural & Mechanical College
LECTURE 12 : a Survey of Ab Initio Based MD - Finding Approximations - Density Functional Theory - Functionals - Car Parrinello MD
An Introduction to Ab Initio Molecular Dynamics Simulations
Introduction to Pseudopotentials and Electronic Structure Philip B
The Pseudopotential Approach Within Density-Functional Theory: the Case of Atomic Metallic Hydrogen
Qbox User Guide
Car-Parrinello Molecular Dynamics
Manual of CPMD 3.13.1
Arxiv:1212.6011V2 [Physics.Chem-Ph] 1 Mar 2013 Omcnevn Suooetaswt Hmclaccuracy Chemical with Pseudopotentials Norm-Conserving Iomn H Suooeta Ssi Ob Transferable
Density of State and Effective Mass from Pseudo Potential Theory Raj
The Bigdft Code: Electrostatic Interaction in Density Functional Theory
Car–Parrinello Molecular Dynamics Mauro Boero, Atsushi Oshiyama
Atoms and Pseudopotentials
Linear Scaling DFT Calculations for Large Tungsten Systems Using an T Optimized Local Basis ⁎ Stephan Mohr ,A, Marc Eixarcha, Maximilian Amslerb, Mervi J
Introduction to Density Functional Theory and Pseudo-Potential Concepts
Pseudopotentials
Band Structure Calculations of Strained Semiconductors Using Empirical Pseudopotential Theory
Transferability of a Local Pseudopotential Based on Solid-State Electron Density
Pseudopotential in Resonant Regimes Ludovic Pricoupenko
Pseudopotential in Resonant Regimes