Related references
Note: Only part of the references are listed.Variational Density Functional Calculations of Excited States via Direct Optimization
Gianluca Levi et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2020)
Variational calculations of excited states via direct optimization of the orbitals in DFT
Gianluca Levi et al.
FARADAY DISCUSSIONS (2020)
Steering Orbital Optimization out of Local Minima and Saddle Points Toward Lower Energy
Alain C. Vaucher et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2017)
Complex Orbitals, Multiple Local Minima, and Symmetry Breaking in Perdew-Zunger Self-Interaction Corrected Density Functional Theory Calculations
Susi Lehtola et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2016)
Variational, Self-Consistent Implementation of the Perdew-Zunger Self-Interaction Correction with Complex Optimal Orbitals
Susi Lehtola et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2014)
Comparison of self-consistent field convergence acceleration techniques
Alejandro J. Garza et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method
J. Enkovaara et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2010)
Localized atomic basis set in the projector augmented wave method
A. H. Larsen et al.
PHYSICAL REVIEW B (2009)
Direct minimization technique for metals in density functional theory
Christoph Freysoldt et al.
PHYSICAL REVIEW B (2009)
A NEW SCALING AND SQUARING ALGORITHM FOR THE MATRIX EXPONENTIAL
Awad H. Al-Mohy et al.
SIAM JOURNAL ON MATRIX ANALYSIS AND APPLICATIONS (2009)
A new conjugate gradient method with guaranteed descent and an efficient line search
WW Hager et al.
SIAM JOURNAL ON OPTIMIZATION (2005)
Tests of a ladder of density functionals for bulk solids and surfaces
VN Staroverov et al.
PHYSICAL REVIEW B (2004)
An efficient orbital transformation method for electronic structure calculations
J VandeVondele et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Nineteen dubious ways to compute the exponential of a matrix, twenty-five years later
C Moler et al.
SIAM REVIEW (2003)
A geometric approach to direct minimization
T Van Voorhis et al.
MOLECULAR PHYSICS (2002)
Share Paper
