Related references
Note: Only part of the references are listed.Pseudospectral time-dependent density functional theory
Chaehyuk Ko et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Turbo charging time-dependent density-functional theory with Lanczos chains
Dario Rocca et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
A density matrix-based method for the linear-scaling calculation of dynamic second- and third-order properties at the Hartree-Fock and Kohn-Sham density functional theory levels
Joerg Kussmann et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Time-dependent density functional theory scheme for efficient calculations of dynamic (hyper)polarizabilities
Xavier Andrade et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Linear-scaling implementation of molecular response theory in self-consistent field electronic-structure theory
Sonia Coriani et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Recent computational developments in Krylov subspace methods for linear systems
Valeria Simoncini et al.
NUMERICAL LINEAR ALGEBRA WITH APPLICATIONS (2007)
Linear-scaling density matrix perturbation treatment of electric fields in solids
H. J. Xiang et al.
PHYSICAL REVIEW LETTERS (2006)
Linear-scaling calculation of static and dynamic polarizabilities in Hartree-Fock and density functional theory for periodic systems
Artur F. Izmaylov et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Single-reference ab initio methods for the calculation of excited states of large molecules
A Dreuw et al.
CHEMICAL REVIEWS (2005)
Higher-order response in O(N) by perturbed projection -: art. no. 044106
V Weber et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Relaxation strategies for nested Krylov methods
J van den Eshof et al.
JOURNAL OF COMPUTATIONAL AND APPLIED MATHEMATICS (2005)
Variable accuracy of matrix-vector products in projection methods for eigencomputation
V Simoncini
SIAM JOURNAL ON NUMERICAL ANALYSIS (2005)
Accurate conjugate gradient methods for families of shifted systems
J van den Eshof et al.
APPLIED NUMERICAL MATHEMATICS (2004)
Accuracy of computed eigenvectors via optimizing a Rayleigh quotient
RC Li
BIT NUMERICAL MATHEMATICS (2004)
Inexact Krylov subspace methods for linear systems
J van den Eshof et al.
SIAM JOURNAL ON MATRIX ANALYSIS AND APPLICATIONS (2004)
Ab initio linear scaling response theory:: Electric polarizability by perturbed projection -: art. no. 193002
V Weber et al.
PHYSICAL REVIEW LETTERS (2004)
Density matrix perturbation theory
AMN Niklasson et al.
PHYSICAL REVIEW LETTERS (2004)
Excitations in time-dependent density-functional theory
H Appel et al.
PHYSICAL REVIEW LETTERS (2003)
On the use of harmonic Ritz pairs in approximating internal eigenpairs
GLG Sleijpen et al.
LINEAR ALGEBRA AND ITS APPLICATIONS (2003)
Localized-density-matrix implementation of time-dependent density-functional theory
CY Yam et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Convergence analysis of inexact Rayleigh quotient iteration
Y Notay
SIAM JOURNAL ON MATRIX ANALYSIS AND APPLICATIONS (2003)
Solving the RPA eigenvalue equation in real-space
A Muta et al.
PROGRESS OF THEORETICAL PHYSICS (2002)
Expansion algorithm for the density matrix
AMN Niklasson
PHYSICAL REVIEW B (2002)
Density matrix analysis and simulation of electronic excitations in conjugated and aggregated molecules
S Tretiak et al.
CHEMICAL REVIEWS (2002)
Stabilized and block approximate inverse preconditioners for problems in solid and structural mechanics
M Benzi et al.
COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING (2001)
Hartree-Fock and Kohn-Sham atomic-orbital based time-dependent response theory
H Larsen et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
Calculating response functions in time domain with nonorthonormal basis sets
T Iitaka et al.
PHYSICAL REVIEW E (2000)