相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。Linear-scaling time-dependent density-functional theory in the linear response formalism
T. J. Zuehlsdorff et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Linear-scaling quantum mechanical methods for excited states
ChiYung Yam et al.
CHEMICAL SOCIETY REVIEWS (2012)
Linear Scaling Self-Consistent Field Calculations with Millions of Atoms in the Condensed Phase
Joost VandeVondele et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)
O(N) methods in electronic structure calculations
D. R. Bowler et al.
REPORTS ON PROGRESS IN PHYSICS (2012)
Efficient electron dynamics with the planewave-based real-time time-dependent density functional theory: Absorption spectra, vibronic electronic spectra, and coupled electron-nucleus dynamics
Seung Kyu Min et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Orthogonal polynomial expansions for the matrix exponential
Gerald Moore
LINEAR ALGEBRA AND ITS APPLICATIONS (2011)
Calculating optical absorption spectra for large systems using linear-scaling density functional theory
Laura E. Ratcliff et al.
PHYSICAL REVIEW B (2011)
Calculations for millions of atoms with density functional theory: linear scaling shows its potential
D. R. Bowler et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2010)
Fundamental Optical Properties of Linear and Cyclic Alkanes: VUV Absorbance and Index of Refraction
Elizabeth A. Costner et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2009)
Turbo charging time-dependent density-functional theory with Lanczos chains
Dario Rocca et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Modified linear response for time-dependent density-functional theory: Application to Rydberg and charge-transfer excitations
Chunping Hu et al.
PHYSICAL REVIEW A (2006)
PARSEC - the pseudopotential algorithm for real-space electronic structure calculations: recent advances and novel applications to nano-structures
L Kronik et al.
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS (2006)
Propagators for the time-dependent Kohn-Sham equations
A Castro et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Linear-scaling time-dependent density-functional theory
CY Yam et al.
PHYSICAL REVIEW B (2003)
Long-range charge-transfer excited states in time-dependent density functional theory require non-local exchange
A Dreuw et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Localized-density-matrix implementation of time-dependent density-functional theory
CY Yam et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Calculation of the optical response of atomic clusters using time-dependent density functional theory and local orbitals -: art. no. 235416
A Tsolakidis et al.
PHYSICAL REVIEW B (2002)
The SIESTA method for ab initio order-N materials simulation
JM Soler et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2002)
Time-dependent density functional theory calculations of photoabsorption spectra in the vacuum ultraviolet region
NN Matsuzawa et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2001)
Localized-density-matrix method and its application to carbon nanotubes
WZ Liang et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2000)
分享论文
