Interatomic potential for germanium dioxide fitted to an ab-initio energy surface

被引：0
|
作者：
Univ of Cambridge, Cambridge, United Kingdom [1 ]
机构：
来源：
Comput Phys Commun | / 708期
关键词：
D O I：
暂无
中图分类号：
学科分类号：
摘要：
引用
收藏
相关论文
共 50 条
  • [31] A NEW POTENTIAL MODEL FOR CARBON-DIOXIDE FROM AB-INITIO CALCULATIONS
    DOMANSKI, KB
    KITAO, O
    NAKANISHI, K
    MOLECULAR SIMULATION, 1994, 12 (3-6) : 343 - 353
  • [32] QUASI-CLASSICAL TRAJECTORY STUDIES OF N(D-2)+H-2 REACTION ON A FITTED AB-INITIO POTENTIAL-ENERGY SURFACE
    KOBAYASHI, H
    TAKAYANAGI, T
    YOKOYAMA, K
    SATO, T
    TSUNASHIMA, S
    JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 1995, 91 (21): : 3771 - 3777
  • [33] AB-INITIO INVESTIGATION OF CONFORMATIONAL GEOMETRIES AND THE TORSIONAL POTENTIAL SURFACE IN PERFLUORODIMENTOXYMETHANE
    STANTON, CL
    SCHWARTZ, M
    JOURNAL OF PHYSICAL CHEMISTRY, 1993, 97 (43): : 11221 - 11226
  • [34] VIBRATIONAL ANALYSIS OF AB-INITIO POTENTIAL ENERGY SURFACES FOR NITRYL FLUORIDE
    SCHOENBORN, M
    CSIZMADIA, IG
    ACTA PHYSICA ACADEMIAE SCIENTIARUM HUNGARICAE, 1969, 27 (1-4): : 377 - +
  • [35] AB-INITIO POTENTIAL-ENERGY FUNCTION FOR THE DYNAMICS OF THE FLUORONIUM ION
    GIANTURCO, FA
    BUONOMO, E
    SEMPRINI, E
    STEFANI, F
    PALMA, A
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1993, 47 (05) : 335 - 373
  • [36] An ab initio, analytically fitted, global potential energy surface for the ground electronic state of He3+
    Chang, DT
    Gellene, GI
    JOURNAL OF CHEMICAL PHYSICS, 2003, 119 (09): : 4694 - 4699
  • [37] Investigation of work function and surface energy of aluminum: an ab-initio study
    Cheng, Shuguang
    Tan, Cher Ming
    Deng, Tianqi
    He, Feifei
    Zhang, Shuai
    Su, Haibin
    PROCEEDINGS OF THE 2013 IEEE 5TH INTERNATIONAL NANOELECTRONICS CONFERENCE (INEC), 2013, : 473 - 475
  • [38] Ab initio construction of interatomic potentials for uranium dioxide across all interatomic distances
    Tiwary, P.
    van de Walle, A.
    Gronbech-Jensen, N.
    PHYSICAL REVIEW B, 2009, 80 (17)
  • [39] AB-INITIO STUDY ON THE METHANOL-WATER CATION-RADICAL POTENTIAL-ENERGY SURFACE
    BURCL, R
    HOBZA, P
    THEORETICA CHIMICA ACTA, 1993, 87 (1-2): : 97 - 105
  • [40] Silicon and Germanium Nanostructures for Photovoltaic Applications: Ab-Initio Results
    Ossicini, Stefano
    Amato, Michele
    Guerra, Roberto
    Palummo, Maurizia
    Pulci, Olivia
    NANOSCALE RESEARCH LETTERS, 2010, 5 (10): : 1637 - 1649
12345