Relativistic and electron correlation effects in molecules and solids
Relativistic and electron correlation effects in molecules and solids
复制标题
分子和固体中的相对论和电子相关效应
DOI：
10.1007/978-1-4899-1340-1
复制
发表时间：
1994
影响因子：
4.4
通讯作者：
G. Malli
中科院分区：
文献类型：
--
作者：
G. Malli
重元素分子中的相对论和电子相关效应。基于高斯基集的多原子分子diachartreefock计算。基于diaccoulomb (Breit) hamilton量的分子电子结构计算。用从头算相对论有效核和核/价极化势研究分子、团簇和表面的电子结构。构型相互作用波函数E.R.戴维森。全构型相互作用与Moller-Plesset理论。MCSCF方法若干问题的讨论[j]。基于直接二阶MCSCF的分子电子相关。耦合聚类理论的代数方法[j]。有机金属的相关和非相关波函数M.M. Rohmer等，6篇附加文章。索引。
Relativistic and Electron Correlation Effects in Molecules of Heavy Elements G.L. Mallia. Polyatomic Molecular DiracHartreeFock Calculations with Gaussian Basis Sets K.G. Dyall. Molecular Electronic Structure Calculations Based on the DiracCoulomb(Breit) Hamiltonian W.C. Nieuwpoort, et al. Electronic Structure of Molecules, Clusters, and Surfaces Using Ab initio Relativistic Effective Core and Core/Valence Polarization Potentials W.C. Ermler, M.M. Marino. Configuration Interaction Wave Functions E.R. Davidson. Full Configuration Interaction and Moller-Plesset Theory N.C. Handy. A Discussion of Some Aspects of the MCSCF Method R. Shepard. Electron Correlation in Molecules Using Direct Second Order MCSCF H.J.A. Jensen. Algebraic Approach to Coupled Cluster Theory J. Paldus. Correlated and Non-Correlated Wave Functions for Organometallics M.M. Rohmer, et al. 6 additional articles. Index.