Analytic gradients for many body dispersion interactions in condensed phase

被引：0
|
作者：
Markovich, Thomas [1 ]
Blood-Forsythe, Martin [2 ]
Aspuru-Guzik, Alan [1 ]
DiStasio, Robert [3 ]
机构：
[1] Harvard Univ, Chem & Chem Biol, Cambridge, MA 02138 USA
[2] Harvard Univ, Phys, Cambridge, MA 02138 USA
[3] Cornell Univ, Chem, Ithaca, NY USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2015年 / 250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：
314
引用
收藏
页数：1
相关论文
共 50 条
  • [1] Analytic energy gradients for range-separated many-body dispersion
    Blood-Forsythe, Martin
    Markovich, Thomas
    DiStasio, Robert
    Aspuru-Guzik, Alan
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2015, 250
  • [2] Many-body interactions in condensed-matters
    Miyasita, Seiji
    NEW FACET OF THREE NUCLEON FORCE - 50 YEARS OF FUJITA MIYAZAWA THREE NUCLEON FORCE (FM 50), 2007, 1011 : 191 - 198
  • [3] Analytical nuclear gradients for the range-separated many-body dispersion model of noncovalent interactions
    Blood-Forsythe, Martin A.
    Markovich, Thomas
    DiStasio, Robert A., Jr.
    Car, Roberto
    Aspuru-Guzik, Alan
    CHEMICAL SCIENCE, 2016, 7 (03) : 1712 - 1728
  • [4] Condensed Matter Systems with Variable Many-Body Interactions
    Lang, M.
    PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 2019, 256 (09):
  • [5] Many-body dispersion interactions in molecular crystals
    Marom, Noa
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2015, 249
  • [6] Many-Body Dispersion Interactions in Molecular Crystal Polymorphism
    Marom, Noa
    DiStasio, Robert A., Jr.
    Atalla, Viktor
    Levchenko, Sergey
    Reilly, Anthony M.
    Chelikowsky, James R.
    Leiserowitz, Leslie
    Tkatchenko, Alexandre
    ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2013, 52 (26) : 6629 - 6632
  • [7] Collective many-body resonances in condensed phase nonlinear spectroscopy
    Tortschanoff, A
    Mukamel, S
    JOURNAL OF CHEMICAL PHYSICS, 2002, 116 (12): : 5007 - 5022
  • [8] Many-body van der Waals interactions in molecules and condensed matter
    DiStasio, Robert A., Jr.
    Gobre, Vivekanand V.
    Tkatchenko, Alexandre
    JOURNAL OF PHYSICS-CONDENSED MATTER, 2014, 26 (21)
  • [9] Novel simulation model for many-body multipole dispersion interactions
    Van der Hoef, MA
    Madden, PA
    MOLECULAR PHYSICS, 1998, 94 (03) : 417 - 433
  • [10] Many-Body Dispersion
    Xu, Peng
    Alkan, Melisa
    Gordon, Mark S.
    CHEMICAL REVIEWS, 2020, 120 (22) : 12343 - 12356
12345