Density matrix renormalization group with localized orbitals.

被引：0
|
作者：
Zgid, D [1 ]
Nooijen, M [1 ]
机构：
[1] Univ Waterloo, Dept Chem, Waterloo, ON N2L 3G1, Canada
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2004年 / 228卷
关键词：
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
352-PHYS
引用
收藏
页码：U253 / U253
页数：1
相关论文
共 50 条
  • [1] Uses of localized molecular orbitals.
    Stewart, JJP
    [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1996, 212 : 90 - COMP
  • [2] Optimizing Hartree-Fock orbitals by the density-matrix renormalization group
    Luo, H. -G.
    Qin, M. -P.
    Xiang, T.
    [J]. PHYSICAL REVIEW B, 2010, 81 (23):
  • [3] Ab initio molecular dynamics: Propagating the density matrix with Gaussian orbitals.
    Schlegel, HB
    Millam, JM
    IYengar, SS
    Voth, GA
    Daniels, AD
    Scuseria, GE
    Frisch, MJ
    [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2001, 222 : U207 - U208
  • [4] Compact description of correlation using localized orbitals.
    Bytautas, L
    Ivanic, J
    Ruedenberg, K
    [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2002, 223 : U467 - U468
  • [5] Ab initio molecular dynamics: Propagating the density matrix with gaussian orbitals.
    Iyengar, S
    [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2002, 223 : U494 - U494
  • [6] The Density Matrix Renormalization Group
    Noack, RM
    White, SR
    [J]. DENSITY-MATRIX RENORMALIZATION: A NEW NUMERICAL METHOD IN PHYSICS, 1999, 528 : 27 - 66
  • [7] Advanced electronic structure methods and redundant localized orbitals.
    Nooijen, M
    Auer, A
    [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2003, 225 : U454 - U454
  • [8] Density function calculations applied to virtual orbitals.
    Watson, JC
    Morgan, ME
    [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2004, 227 : U447 - U447
  • [9] Vibrational Density Matrix Renormalization Group
    Baiardi, Alberto
    Stein, Christopher J.
    Barone, Vincenzo
    Reiher, Markus
    [J]. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2017, 13 (08) : 3764 - 3777
  • [10] Transcorrelated density matrix renormalization group
    Baiardi, Alberto
    Reiher, Markus
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2020, 153 (16):
12345