General expressions of molecular multicenter integrals for Slater‐type orbitals
暂无分享,去创建一个
[1] Joel Nothman,et al. SciPy 1.0-Fundamental Algorithms for Scientific Computing in Python , 2019, ArXiv.
[2] L. Visscher,et al. Accurate Coulomb Potentials for Periodic and Molecular Systems through Density Fitting. , 2014, Journal of chemical theory and computation.
[3] B. Mamedov. Israfil I. Guseinov: A pioneer of the quantum theory of atomic, molecular, and nuclear systems* , 2014 .
[4] Tosio Kato,et al. On the Eigenfunctions of Many-Particle Systems in Quantum Mechanics , 2011 .
[5] Andrew T. B. Gilbert,et al. Resolutions of the Coulomb operator: II. The Laguerre generator , 2009 .
[6] M. Ruiz,et al. Analytical evaluation of three-center nuclear-attraction integrals over s-Slater orbitals for asymmetrical conformations of the centers , 2008 .
[7] Peter M W Gill,et al. Resolutions of the Coulomb operator. , 2007, The Journal of chemical physics.
[8] M. Ruiz,et al. Analytical expressions of exchange and three-center nuclear attraction integrals over 1s and 2s Slater orbitals with different exponents , 2005 .
[9] I. Ema,et al. Efficiency of the algorithms for the calculation of Slater molecular integrals in polyatomic molecules , 2004, J. Comput. Chem..
[10] Hassan Safouhi,et al. Multicentre two-electron Coulomb and exchange integrals over Slater functions evaluated using a generalized algorithm based on nonlinear transformations , 2004 .
[11] Hassan Safouhi,et al. An extremely efficient and rapid algorithm for numerical evaluation of three-centre nuclear attraction integrals over Slater-type functions , 2003 .
[12] I. Guseinov. Unified analytical treatment of multicenter multielectron integrals of central and noncentral interaction potentials over Slater orbitals using Ψα-ETOs , 2003 .
[13] H. Tai. On the evaluation of molecular multicentre integrals for Slater-type orbitals , 1979 .
[14] R. Shakeshaft. A note on the exchange integrals in the impact-parameter treatment of heavy-particle collisions , 1975 .
[15] Martin Karplus,et al. Gaussian‐Transform Method for Molecular Integrals. I. Formulation for Energy Integrals , 1965 .
[16] M. P. Barnett,et al. The evaluation of integrals occurring in the theory of molecular structure. Parts I & II , 1951, Philosophical Transactions of the Royal Society of London. Series A, Mathematical and Physical Sciences.
[17] S. F. Boys. Electronic wave functions - I. A general method of calculation for the stationary states of any molecular system , 1950, Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences.
[18] J. Avery,et al. Molecular integrals for slater type orbitals using coulomb sturmians , 2013, Journal of Mathematical Chemistry.
[19] P. Hoggan. Four‐center Slater‐type orbital molecular integrals without orbital translations , 2010 .
[20] D. Pinchon,et al. Gaussian approximation of exponential type orbitals based on B functions , 2009 .
[21] C. Weatherford,et al. Derivation of a general formula for the Shibuya–Wulfman matrix , 2004 .
[22] J. Avery. Many-center Coulomb Sturmians and Shibuya–Wulfman integrals† , 2004 .