STOP swMATH ID: 7849 Software Authors: Bouferguene A., Fares M., Hoggan P.E Description: STOP: a slater-type orbital package for molecular electronic structure determination. A general ab initio package using Slater-type atomic orbitals is presented. This package, called STOP, uses the one-center two-range expansion method to evaluate the multicenter electronic integrals. Thoroughly optimized numerical techniques, in particular, convergence accelerators and suitable Gauss quadratures, are used in the algorithms which provide accurate numerical values for all these integrals. STOP thus provides wavefunctions for general molecular structures at the self-consistent field level for the first time over a Slater-type orbital basis. © 1996 John Wiley & Sons, Inc. Homepage: http://onlinelibrary.wiley.com/doi/10.1002/%28SICI%291097-461X%281996%2957:4%3C801::AID-QUA27%3E3.0.CO;2-0/full Related Software: GAUSSIAN; ADF; Sturmian; Mathematica; Ev3; LINDO; CPLEX; LINDOGlobal; CLP; GAMS; Ipopt; Bonmin; INTOPT_90; Cbc; Couenne; AMPL; BARON Cited in: 6 Documents all top 5 Cited by 12 Authors 2 Berlu, Lilian 2 Safouhi, Hassan 1 Akdemir, Selda 1 Avery, James Emil 1 Avery, John Scales 1 Cesco, Juan Carlos 1 Denner, Claudia C. 1 Giubergia, Graciela O. 1 Janes, Pete P. 1 Pérez, Jorge E. 1 Rendell, Alistair P. 1 Rosso, Ana E. all top 5 Cited in 6 Serials 1 Journal of Computational Physics 1 Applied Numerical Mathematics 1 Journal of Global Optimization 1 Journal of Physics A: Mathematical and General 1 Journal of Mathematical Chemistry 1 Iranian Journal of Science and Technology. Transaction A: Science all top 5 Cited in 7 Fields 4 Quantum theory (81-XX) 3 Numerical analysis (65-XX) 2 Special functions (33-XX) 1 Ordinary differential equations (34-XX) 1 Approximations and expansions (41-XX) 1 Harmonic analysis on Euclidean spaces (42-XX) 1 Operations research, mathematical programming (90-XX) Citations by Year