Converged Hartree-Fock and frequency calculations molecular hydrogen
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference7 articles.
1. A comparison of finite difference and finite basis set Hartree-Fock calculations for the ground state potential energy curve of CO
2. On the convergence of the Hartree-Fock energy for negative ions using systematically constructed basis sets of primitive Gaussian-type functions
3. Ab initio computation of force constants. The second and third period hydrides
4. Decomposition Processes and Fragmentation Probabilities of W(CO)6 by Electron Impact
5. Effective convergence to complete orbital bases and to the atomic Hartree–Fock limit through systematic sequences of Gaussian primitives
Cited by 2 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. Structure of substituted o-benzynes and their cycloaddition to ketene dialkyl acetals;Journal of Molecular Structure: THEOCHEM;2003-10
2. Comparative study of errors in HeH? interaction energy calculations;International Journal of Quantum Chemistry;1998
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