Linear Scaling Electronic Structure Methods
暂无分享,去创建一个
[1] Xavier Gonze,et al. A brief introduction to the ABINIT software package , 2005 .
[2] R. Martin,et al. Electronic Structure: Basic Theory and Practical Methods , 2004 .
[3] Li,et al. Density-matrix electronic-structure method with linear system-size scaling. , 1993, Physical review. B, Condensed matter.
[4] Matthieu Verstraete,et al. First-principles computation of material properties: the ABINIT software project , 2002 .
[5] Gustavo E. Scuseria,et al. Linear scaling conjugate gradient density matrix search as an alternative to diagonalization for first principles electronic structure calculations , 1997 .
[6] E. Polak,et al. Note sur la convergence de méthodes de directions conjuguées , 1969 .
[7] Burke,et al. Generalized Gradient Approximation Made Simple. , 1996, Physical review letters.
[8] Wang,et al. Accurate and simple analytic representation of the electron-gas correlation energy. , 1992, Physical review. B, Condensed matter.
[9] D. Chadi,et al. Special points for Brillouin-zone integrations , 1977 .
[10] Johannes Neugebauer,et al. Couplings between electronic transitions in a subsystem formulation of time-dependent density functional theory. , 2007, The Journal of chemical physics.
[11] P. Hohenberg,et al. Inhomogeneous Electron Gas , 1964 .
[12] Walter Kohn. NEARSIGHTEDNESS OF ELECTRONIC MATTER , 2008 .
[13] T. Arias,et al. Iterative minimization techniques for ab initio total energy calculations: molecular dynamics and co , 1992 .
[14] B. N. Brockhouse,et al. Pseudopotentials in the theory of metals , 1966 .
[15] S. Goedecker. Linear scaling electronic structure methods , 1999 .
[16] W. Kohn,et al. Self-Consistent Equations Including Exchange and Correlation Effects , 1965 .
[17] M. Levy. Universal variational functionals of electron densities, first-order density matrices, and natural spin-orbitals and solution of the v-representability problem. , 1979, Proceedings of the National Academy of Sciences of the United States of America.