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On the accuracy of the algebraic approximation in electronic structure calculations for the ground states of H32+ and H43+ using basis sets of atom-centred Gaussian-type functions

机译：基于原子居中的高斯型函数的基于原子高斯型函数的基地状态的电子结构计算的代数近似的准确性

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S Wilson;
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年度 1992
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1. The Dirac Equation in the Algebraic Approximation.IX.Matrix Dirac-Hartree-Fock Calculations for the HeH and BeH Ground States Using Distributed Gaussian Basis Sets [J] . H.M.Quiney, V.N.Glushkov, S.Wilson International Journal of Quantum Chemistry . 2004,第6期

机译：代数近似中的Dirac方程IX。使用分布式高斯基集对HeH和BeH基态的矩阵Dirac-Hartree-Fock计算
2. Accurate quantum-chemical calculations using Gaussian-type geminal and Gaussian-type orbital basis sets:applications to atoms and diatomics [J] . Pal Dahle, Trygve Helgaker, Dan Jonsson Physical chemistry chemical physics: PCCP . 2007,第24期

机译：使用高斯型双子星和高斯型轨道基集的精确量子化学计算：在原子和双原子上的应用
3. On the accuracy of the algebraic approximation in molecular electronic structure calculations: VIII. Matrix Hartree-Fock and many-body perturbation theory applied to a negative molecular ion [J] . Moncrieff D., Wilson S. Journal of Physics, B. Atomic, Molecular and Optical Physics: An Institute of Physics Journal . 1999,第9期

机译：关于分子电子结构计算中代数逼近的准确性：VIII。矩阵Hartree-Fock和多体摄动理论应用于负分子离子
4. On the Accuracy of the Algebraic Approximation in Molecular Electronic Structure Studies: VII. Matrix Valence Bond Calculations for the Hydrogen Molecule Ground State [C] . D. Moncrieff, S. Wilson European Workshop on "Quantum Systems in Chemistry and Physics" . 1997

机译：分子电子结构研究中代数近似的准确性：VII。氢分子基地的基质价键计算
5. Exploration of basis set issues for calculation of intermolecular interactions and density functional theory calculations of vanadium oxide clusters and their reactions with sulfur dioxide [D] . Jakubikova, Elena 2007

机译：探索钒氧化物簇及其与二氧化硫反应的分子间相互作用计算和密度泛函理论计算的基集问题
6. First Principles Calculations on the Stoichiometric and Defective (101) Anatase Surface and Upon Hydrogen and H2Pc Adsorption: The Influence of Electronic Exchange and Correlation and of Basis Set Approximations [O] . Ruth Martínez-Casado, Milica Todorović, Giuseppe Mallia, 1970

机译：化学计量和有缺陷的（101）锐钛矿表面以及氢和H2Pc吸附时的第一原理计算：电子交换和相关性以及基组近似的影响
7. Optimization of Gaussian-type basis sets for local spin density functional calculations. Part I. Boron through neon, optimization technique and validation [O] . Nathalie Godbout, Dennis R. Salahub, Jan Andzelm, 1992

机译：局部自旋密度函数计算的高斯型基础集的优化。第一部分硼通过霓虹灯，优化技术和验证
8. Use of Gaussian-Type Functions in Dirac-Fock Basis Set Expansion Calculations [R] . Ishikawa, Y., Sekino, H. 1988

机译：在Dirac-Fock基集扩展计算中使用高斯型函数

On the accuracy of the algebraic approximation in electronic structure calculations for the ground states of H32+ and H43+ using basis sets of atom-centred Gaussian-type functions

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