Visualization of deficiencies in approximate molecular wave functions: the orbital amplitude difference function for the matrix Hartree-Fock description of the ground state of the boron fluoride molecule
Author:
Publisher
Informa UK Limited
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics
Link
http://www.tandfonline.com/doi/pdf/10.1080/002689797169637
Reference40 articles.
1. On the accuracy of the algebraic approximation in molecular electronic structure calculations. I. Calculations for H2+, HeH2+, H2and HeH+using basis sets of atom-centred Gaussian-type functions
2. Finite basis set versus finite difference and finite element methods
3. A universal basis set for high-precision molecular electronic structure studies
4. A comparison of finite difference and finite basis set Hartree-Fock calculations for the ground state potential energy curve of CO
5. A comparison of finite basis set and finite difference methods for the ground state of the CS molecule
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