Automatic Fundamental Calculations of Molecular Structure

@article{Boys1956AutomaticFC,
  title={Automatic Fundamental Calculations of Molecular Structure},
  author={Samuel Francis Boys and G. B. Cook and C. M. Reeves and Isaiah Shavitt},
  journal={Nature},
  year={1956},
  volume={178},
  pages={1207-1209}
}

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References

SHOWING 1-4 OF 4 REFERENCES
Electronic wave functions - A calculation of eight variational wave functions for C1, C1-, S and S-
  • S. F. Boys, V. E. Price
  • Mathematics
  • Philosophical Transactions of the Royal Society of London. Series A, Mathematical and Physical Sciences
  • 1954
The variational co-detor method has been applied to calculate wave functions and energies for the P2 and S2 states of Cl, the S1 state of Cl , the P3, D1, S1 and P30 states of S and the P2 state ofExpand
Electronic wave functions X. A calculation of eight variational poly-detor wave functions for boron and carbon
  • S. F. Boys
  • Mathematics
  • Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences
  • 1953
The eight wave functions which have been calculated show lower calculated energies than any others previously reported for the relevant P2, P4, D2 states of boron and the P3, D1, S1, S5, D3 states ofExpand
Electronic wave functions - I. A general method of calculation for the stationary states of any molecular system
  • S. F. Boys
  • Mathematics
  • Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences
  • 1950
This communication deals with the general theory of obtaining numerical electronic wave functions for the stationary states of atoms and molecules. It is shown that by taking Gaussian functions, andExpand