Inhomogeneous Electron Gas
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journal
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November 1964 |
Self-Consistent Equations Including Exchange and Correlation Effects
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journal
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November 1965 |
Pseudopotential methods in condensed matter applications
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journal
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April 1989 |
Three real-space discretization techniques in electronic structure calculations
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journal
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April 2006 |
Finite element methods in ab initio electronic structure calculations
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journal
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April 2005 |
Daubechies wavelets as a basis set for density functional pseudopotential calculations
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journal
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July 2008 |
Numerical Methods for Electronic Structure Calculations of Materials
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journal
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January 2010 |
Real-space adaptive-coordinate electronic-structure calculations
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journal
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July 1995 |
Application of a distributed nucleus approximation in grid based minimization of the Kohn–Sham energy functional
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journal
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July 1995 |
Density-functional molecular dynamics with real-space finite difference
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journal
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August 1995 |
Adaptive-coordinate real-space electronic-structure calculations for atoms, molecules, and solids
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journal
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April 1997 |
Finite Difference Schemes and Block Rayleigh Quotient Iteration for Electronic Structure Calculations on Composite Grids
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journal
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February 1999 |
Towards grid-based density-functional theory methods: Optimized nonorthogonal orbitals and multigrid acceleration
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journal
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July 2000 |
Linear scaling first-principles molecular dynamics with controlled accuracy
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journal
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September 2004 |
Real-space pseudopotential method for computing the electronic properties of periodic systems
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journal
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February 2004 |
Real-Space and Multigrid Methods in Computational Chemistry
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book
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October 2008 |
Timesaving Double-Grid Method for Real-Space Electronic-Structure Calculations
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journal
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June 1999 |
Finite element method for bound state calculations in quantum mechanics
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journal
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January 1975 |
Finite-element approach to band-structure analysis
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journal
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May 1986 |
Large-Scale Electronic-Structure Calculations Based on the Adaptive Finite-Element Method
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journal
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November 1998 |
Adaptive finite-element method for electronic-structure calculations
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journal
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September 1996 |
Real-space local polynomial basis for solid-state electronic-structure calculations: A finite-element approach
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journal
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May 1999 |
Finite-element methods in electronic-structure theory
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journal
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March 2001 |
Real-space formulation of the electrostatic potential and total energy of solids
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journal
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March 2005 |
Higher-order adaptive finite-element methods for Kohn–Sham density functional theory
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journal
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November 2013 |
An adaptive finite-element method for large-scale ab initio molecular dynamics simulations
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journal
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January 2015 |
Computational method for general multicenter electronic structure calculations
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journal
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June 2000 |
All-electron density functional theory and time-dependent density functional theory with high-order finite elements
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journal
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January 2009 |
Finite element method for solving Kohn–Sham equations based on self-adaptive tetrahedral mesh
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journal
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July 2008 |
Adaptive Finite Element Method for Solving the Exact Kohn−Sham Equation of Density Functional Theory
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journal
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March 2009 |
A divide and conquer real space finite-element Hartree–Fock method
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journal
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January 2010 |
An h-adaptive finite element solver for the calculations of the electronic structures
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journal
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May 2012 |
All-electron Kohn–Sham density functional theory on hierarchic finite element spaces
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journal
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October 2013 |
The reduced basis method in all-electron calculations with finite elements
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journal
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September 2014 |
Subquadratic-scaling subspace projection method for large-scale Kohn-Sham density functional theory calculations using spectral finite-element discretization
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journal
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September 2014 |
Adaptive Finite Element Approximations for Kohn--Sham Models
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journal
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January 2014 |
h — P Finite element approximation for full-potential electronic structure calculations
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journal
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January 2014 |
On the adaptive finite element analysis of the Kohn-Sham equations: methods, algorithms, and implementation: On the adaptive finite element analysis of the Kohn-Sham equations: methods, algorithms, and implementation
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journal
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November 2015 |
Electronic wave functions - I. A general method of calculation for the stationary states of any molecular system
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journal
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February 1950 |
Dirac–Fock–Slater calculations for diatomic molecules with a finite element defect correction method (FEM-DKM)
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journal
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October 1998 |
Electronic state calculation of hydrogen in metal clusters based on Gaussian–FEM mixed basis function
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journal
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August 2003 |
Gaussian finite-element mixed-basis method for electronic structure calculations
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journal
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January 2005 |
Meshfree implementation for the real-space electronic-structure calculation of crystalline solids: REAL-SPACE ELECTRONIC-STRUCTURE CALCULATION
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journal
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March 2004 |
Orbital HP-Clouds for solving Schrödinger equation in quantum mechanics
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journal
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August 2007 |
A mesh-free convex approximation scheme for Kohn–Sham density functional theory
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journal
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June 2011 |
Classical and enriched finite element formulations for Bloch-periodic boundary conditions
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journal
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February 2009 |
The partition of unity finite element method: Basic theory and applications
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journal
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December 1996 |
The Partition of Unity Method
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journal
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February 1997 |
Generalized Gradient Approximation Made Simple
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journal
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October 1996 |
Efficient adaptive integration of functions with sharp gradients and cusps in n-dimensional parallelepipeds: EFFICIENT INTEGRATION OF FUNCTIONS WITH SHARP GRADIENTS AND CUSPS
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journal
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June 2012 |
Adaptive Riemannian Metric for Plane-Wave Electronic-Structure Calculations
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journal
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August 1992 |
Property-optimized Gaussian basis sets for molecular response calculations
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journal
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October 2010 |
Hybrid preconditioning for iterative diagonalization of ill-conditioned generalized eigenvalue problems in electronic structure calculations
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journal
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December 2013 |
Finite Elastic Strain of Cubic Crystals
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journal
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June 1947 |
Stable enrichment and local preconditioning in the particle-partition of unity method
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journal
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July 2010 |
Variational Mass Lumping in the Partition of Unity Method
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journal
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January 2013 |
Adaptive local basis set for Kohn–Sham density functional theory in a discontinuous Galerkin framework I: Total energy calculation
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journal
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February 2012 |
Finite-element method for electronic structure
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journal
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March 1989 |
Real-space electronic-structure calculations: Combination of the finite-difference and conjugate-gradient methods
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journal
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May 1995 |
Real-space multigrid-based approach to large-scale electronic structure calculations
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journal
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November 1996 |
Relativistic separable dual-space Gaussian pseudopotentials from H to Rn
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journal
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August 1998 |
Finite-difference-pseudopotential method: Electronic structure calculations without a basis
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journal
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February 1994 |
All-electron density functional theory and time-dependent density functional theory with high-order finite elements
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text
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January 2009 |
Efficient adaptive integration of functions with sharp gradients and cusps in n-dimensional parallelepipeds
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text
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January 2012 |