Response function basis sets: Application to density functional calculations

被引：0
|
作者：
MAx-Planck-Inst fuer, Festkoerperforschung, Stuttgart, Germany [1 ]
机构：
来源：
J Phys Chem | / 15卷 / 6231-6235期
关键词：
D O I：
暂无
中图分类号：
学科分类号：
摘要：
35
引用
收藏
相关论文
共 50 条
  • [41] Application of the Characteristic Basis Function Method Using Geometrically Optimized Function Sets
    Delgado, Carlos
    Garcia, Eliseo
    Somolinos, Alvaro
    Catedra, Felipe
    PROCEEDINGS OF THE 2019 INTERNATIONAL CONFERENCE ON ELECTROMAGNETICS IN ADVANCED APPLICATIONS (ICEAA), 2019, : 708 - 710
  • [42] Application of functional decomposition in synthesis of Boolean function sets
    Morawiecki, Pawel
    Rawski, Mariusz
    Selvaraj, Henry
    ICSENG 2008: INTERNATIONAL CONFERENCE ON SYSTEMS ENGINEERING, 2008, : 350 - +
  • [43] Performance of the Harris functional for extended basis sets at the Hartree-Fock and density functional levels
    Cullen, J
    JOURNAL OF COMPUTATIONAL CHEMISTRY, 2004, 25 (05) : 637 - 648
  • [44] Functional group basis sets
    Janesko, BG
    Yaron, D
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2005, 1 (02) : 267 - 278
  • [45] Analysis and development of basis sets for optimal ab initio and density functional performance
    Wilson, Angela K.
    Prascher, Brian P.
    Mintz, Benjamin
    Wang, Xuelin
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2006, 231
  • [46] Density functional theory in periodic systems using local Gaussian basis sets
    Towler, MD
    Zupan, A
    Causa, M
    COMPUTER PHYSICS COMMUNICATIONS, 1996, 98 (1-2) : 181 - 205
  • [47] Density-functional method for very large systems with LCAO basis sets
    SanchezPortal, D
    Ordejon, P
    Artacho, E
    Soler, JM
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1997, 65 (05) : 453 - 461
  • [48] Proper Gaussian basis sets for density functional studies of water dimers and trimers
    Csonka, GI
    Ruzsinszky, A
    Perdew, JP
    JOURNAL OF PHYSICAL CHEMISTRY B, 2005, 109 (46): : 21471 - 21475
  • [49] Optimized Pseudopotentials and Basis Sets for Semiempirical Density Functional Theory for Electrocatalysis Applications
    Li, Wan-Lu
    Chen, Kaixuan
    Rossomme, Elliot
    Head-Gordon, Martin
    Head-Gordon, Teresa
    JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2021, 12 (42): : 10304 - 10309
  • [50] Application of Density Functional Theory Calculations in Fluorescent Material Research
    Gao J.
    Zhou H.
    Mu N.
    Liu Y.
    Xie C.
    Yang C.
    Mei L.
    Kuei Suan Jen Hsueh Pao/Journal of the Chinese Ceramic Society, 2023, 51 (06): : 1640 - 1648
12345