Multiresolution quantum chemistry in multiwavelet bases: Analytic derivatives for Hartree–Fock and density functional theory

• 期刊名称The Journal of Chemical Physics
• 作者Yanai, Takeshi; Fann, George I.; Gan, Zhengting; Harrison, Robert J.; Beylkin, Gregory
• 卷第121卷
• 期第7期
• 印刷ISSN0021-9606
• 文件大小387.55KB
• 发表时间2004
• DOI10.1063/1.1768161