Uniform quality gaussian basis sets for molecular calculations. IV. Gradient and charged optimized basis sets for CH4
Author:
Publisher
Wiley
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics
Reference21 articles.
1. The effect of p, d, and f Gaussian polarization functions on the computed one-electron properties of AHn oxygen and sulfur hydrides
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3. Highly correlated particle densities and idempotent one-densities
4. Direct Determination of Pure-State Density Matrices. II. Construction of Constrained Idempotent One-Body Densities
Cited by 3 articles. 订阅此论文施引文献 订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献
1. Orbital exponent optimization for molecular self-consistent-field wave functions including the polarization function;Canadian Journal of Chemistry;1992-02-01
2. Gradient optimization of polarization exponents inab initio MO calculations on H2SO ? HSOH and CH3SH ? CH2SH2;Theoretica Chimica Acta;1990
3. Hartree–Fock energy derivatives with respect to basis set exponents. Integral derivatives using Rys polynomials;The Journal of Chemical Physics;1987-07
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