Evaluation of some integrals for the atomic three-electron problem using convergence accelerators. - Suppr | 超能文献

Evaluation of some integrals for the atomic three-electron problem using convergence accelerators.

作者信息

Porras I, King FW

出版信息

Phys Rev A. 1994 Mar;49(3):1637-1645. doi: 10.1103/physreva.49.1637.

DOI:10.1103/physreva.49.1637

Abstract

摘要

文献AI研究员

20分钟写一篇综述，助力文献阅读效率提升50倍。

用中文搜PubMed

大模型驱动的PubMed中文搜索引擎

文档翻译

学术文献翻译模型，支持多种主流文档格式。

相似文献

1

Evaluation of some integrals for the atomic three-electron problem using convergence accelerators.

Phys Rev A. 1994 Mar;49(3):1637-1645. doi: 10.1103/physreva.49.1637.

2

Improvements on the application of convergence accelerators for the evaluation of some three-electron atomic integrals.

Phys Rev E Stat Nonlin Soft Matter Phys. 2002 Mar;65(3 Pt 2B):036707. doi: 10.1103/PhysRevE.65.036707. Epub 2002 Feb 27.

3

Highly accurate evaluation of atomic three-electron integrals of lowest orders.

J Chem Phys. 2004 Jun 1;120(21):9974-83. doi: 10.1063/1.1735537.

4

Efficient evaluation of infinite-series representations for overlap, two-center nuclear attraction, and Coulomb integrals using nonlinear convergence accelerators.

Phys Rev A Gen Phys. 1986 Jun;33(6):3706-3726. doi: 10.1103/physreva.33.3706.

5

Calculation of molecular integrals over Slater-type orbitals using recurrence relations for overlap integrals and basic one-center Coulomb integrals.

J Mol Model. 2002 Apr;8(4):145-9. doi: 10.1007/s00894-002-0079-8.

6

Density fitting for three-electron integrals in explicitly correlated electronic structure theory.

J Chem Phys. 2014 Jan 28;140(4):044118. doi: 10.1063/1.4863136.

7

Numerical evaluation of electron repulsion integrals for pseudoatomic orbitals and their derivatives.

J Chem Phys. 2009 Mar 28;130(12):124114. doi: 10.1063/1.3082269.

8

Convergence accelerators in the computation of molecular integrals over Slater-type basis functions in the two-range one-center expansion method.

Phys Rev E Stat Phys Plasmas Fluids Relat Interdiscip Topics. 1994 Apr;49(4):3462-3474. doi: 10.1103/physreve.49.3462.

9

Treat All Integrals as Volume Integrals: A Unified, Parallel, Grid-Based Method for Evaluation of Volume, Surface, and Path Integrals on Implicitly Defined Domains.

J Comput Inf Sci Eng. 2018 Jun;18(2):0210131-210139. doi: 10.1115/1.4039639. Epub 2018 Apr 26.

10

A unified scheme for the calculation of differentiated and undifferentiated molecular integrals over solid-harmonic Gaussians.

Phys Chem Chem Phys. 2007 Sep 14;9(34):4771-9. doi: 10.1039/b705594c. Epub 2007 Jul 4.

引用本文的文献

1

Computation of multicenter overlap integrals with Slater-type orbitals using psi(alpha)-ETOs.

J Mol Model. 2003 Oct;9(5):325-8. doi: 10.1007/s00894-003-0151-z. Epub 2003 Sep 4.

2

Addition theorems for Slater-type orbitals and their application to multicenter multielectron integrals of central and noncentral interaction potentials.

J Mol Model. 2003 Jun;9(3):190-4. doi: 10.1007/s00894-003-0134-0. Epub 2003 May 14.