S. Francis Boys

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Samuel Francis Boys
Born (1911-12-20)20 December 1911
Pudsey, Yorkshire, England
Died 16 October 1972(1972-10-16) (aged 60)
Cambridge, England
Nationality British
Fields Theoretical chemistry
Institutions University of Cambridge
Imperial College London
Queen's University Belfast
Alma mater Trinity College, Cambridge
Doctoral advisor Martin Lowry[citation needed]
Known for Gaussian orbitals
ab initio quantum chemistry methods
Notable awards Fellow of the Royal Society[1]

Samuel Francis Boys (Frank) FRS (20 December 1911 – 16 October 1972) was a British theoretical chemist. [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15][16][17][18][19][20][21][22][23][24][25][26][27]

Education[edit]

Boys was born in Pudsey, Yorkshire, England. He was educated at the Grammar School in Pudsey and then at Imperial College London. He graduated in Chemistry in 1932. He did his PhD at Trinity College, Cambridge, supervised first by Professor Martin Lowry,[citation needed] and then, after Lowry's death in 1936, by Sir John Lennard-Jones.

Career[edit]

In 1938, Boys was appointed an Assistant Lecturer in Mathematical Physics at Queen's University Belfast. He spent the whole of the Second World War working on explosives research with the Ministry of Supply at the Royal Arsenal, Woolwich, with Lennard-Jones as his supervisor. After the war, Boys accepted an ICI Fellowship at Imperial College, London. In 1949, he was appointed to a Lectureship in theoretical chemistry at the University of Cambridge. He remained at Cambridge until his death. He was only elected to a Cambridge College Fellowship at University College, now Wolfson College, Cambridge, shortly before his death.

Boys is best known for the introduction of Gaussian orbitals into ab initio quantum chemistry. Almost all basis sets used in computational chemistry now employ these orbitals. Frank Boys was also one of the first scientists to use digital computers for calculations on polyatomic molecules.

An International Conference, entitled "Molecular Quantum Mechanics: Methods and Applications" was held in memory of S. Francis Boys and in honour of Isaiah Shavitt in September, 1995 at St Catharine's College, Cambridge.

Boys was a member of the International Academy of Quantum Molecular Science. He was elected a Fellow of the Royal Society in 1972, not long before his death.

References[edit]

  1. ^ a b Coulson, C. A. (1973). "Samuel Francis Boys 1911-1972". Biographical Memoirs of Fellows of the Royal Society 19: 94. doi:10.1098/rsbm.1973.0004.  edit
  2. ^ Boys, S. F.; Corner, J. (1949). "The Structure of the Reaction Zone in a Flame". Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences 197 (1048): 90. doi:10.1098/rspa.1949.0052.  edit
  3. ^ Boys, S. F. (1950). "Electronic Wave Functions. I. A General Method of Calculation for the Stationary States of Any Molecular System". Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences 200 (1063): 542–554. doi:10.1098/rspa.1950.0036.  edit
  4. ^ Boys, S. F. (1950). "Electronic Wave Functions. II. A Calculation for the Ground State of the Beryllium Atom". Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences 201 (1064): 125–137. doi:10.1098/rspa.1950.0047.  edit
  5. ^ Boys, S. F. (1953). "Electronic Wave Functions. IX. Calculations for the Three Lowest States of the Beryllium Atom". Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences 217 (1128): 136–150. doi:10.1098/rspa.1953.0050.  edit
  6. ^ Boys, S. F. (1953). "Electronic Wave Functions. X. A Calculation of Eight Variational Poly-Detor Wave Functions for Boron and Carbon". Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences 217 (1129): 235–251. doi:10.1098/rspa.1953.0059.  edit
  7. ^ Boys, S. F.; Cook, G. B.; Reeves, C. M.; Shavitt, I. (1956). "Automatic Fundamental Calculations of Molecular Structure". Nature 178 (4544): 1207. doi:10.1038/1781207a0.  edit
  8. ^ Boys, S. F.; Shavitt, I. (1960). "Intermolecular Forces and Properties of Fluids. I. The Automatic Calculation of Higher Virial Coefficients and Some Values of the Fourth Coefficient for the Lennard-Jones Potential". Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences 254 (1279): 487. doi:10.1098/rspa.1960.0034.  edit
  9. ^ Boys, S. F.; Shavitt, I. (1960). "Intermolecular Forces and Properties of Fluids. II. A General Functional Representation of Intermolecular Potentials, and Some Values of the Second, Third and Fourth Virial Coefficients for Systematically Differing Potentials". Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences 254 (1279): 499. doi:10.1098/rspa.1960.0035.  edit
  10. ^ Boys, S. F. (1960). "The Integral Formulae for the Variational Solution of the Molecular Many-Electron Wave Equations in Terms of Gaussian Functions with Direct Electronic Correlation". Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences 258 (1294): 402–411. doi:10.1098/rspa.1960.0195.  edit
  11. ^ Boys, S.; Cook, G. (1960). "Mathematical Problems in the Complete Quantum Predictions of Chemical Phenomena". Reviews of Modern Physics 32 (2): 285. doi:10.1103/RevModPhys.32.285.  edit
  12. ^ Foster, J.; Boys, S. (1960). "A Quantum Variational Calculation for HCHO". Reviews of Modern Physics 32 (2): 303. doi:10.1103/RevModPhys.32.303.  edit
  13. ^ Foster, J.; Boys, S. (1960). "Quantum Variational Calculations for a Range of CH2 Configurations". Reviews of Modern Physics 32 (2): 305. doi:10.1103/RevModPhys.32.305.  edit
  14. ^ Boys, S. F.; Rajagopal, P (1965). "Quantum Calculations, Which Are Accumulative in Accuracy, Un-restricted in Expansion Functions, and Economical in Computation". Advances in Quantum Chemistry 2: 1. Bibcode:1965AdQC....2....1B. 
  15. ^ Boys, S. F. (1966). "Localized Orbitals and Localized Adjustment Functions". In Per-Olov Lödin. Quantum Theory of Atoms, Molecules, and the Solid State, A Tribute to John C. Slater. Academic Press. p. 253. Bibcode:1966qtam.book..253B. 
  16. ^ Boys, S. F. (1968). "Independent assessments of the accuracy of correlated wave functions for many-electron systems". Symposia of the Faraday Society 2: 95–111. doi:10.1039/SF9680200095.  edit
  17. ^ Boys, S. F. (1969). "Some Bilinear Convergence Characteristics of the Solutions of Dissymmetric Secular Equations". Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences 309 (1497): 195–208. doi:10.1098/rspa.1969.0037.  edit
  18. ^ Boys, S. F.; Handy, N. C. (1969). "A Condition to Remove the Indeterminacy in Interelectronic Correlation Functions". Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences 309 (1497): 209. doi:10.1098/rspa.1969.0038.  edit
  19. ^ Boys, S. F.; Handy, N. C. (1969). "The Determination of Energies and Wavefunctions with Full Electronic Correlation". Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences 310 (1500): 43. doi:10.1098/rspa.1969.0061.  edit
  20. ^ Boys, S. F.; Handy, N. C. (1969). "A Calculation for the Energies and Wavefunctions for States of Neon with Full Electronic Correlation Accuracy". Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences 310 (1500): 63. doi:10.1098/rspa.1969.0062.  edit
  21. ^ Boys, S. F.; Handy, N. C. (1969). "A First Solution, for LiH, of a Molecular Transcorrelated Wave Equation by Means of Restricted Numerical Integration". Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences 311 (1505): 309. doi:10.1098/rspa.1969.0120.  edit
  22. ^ Boys, S. F.; Bernardi, F. (1970). "The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors". Molecular Physics 19 (4): 553. doi:10.1080/00268977000101561.  edit
  23. ^ Bernardi, F.; Boys, S. F. (1973). "Explicit formula solutions of the contraction conditions for transcorrelated wavefunctions". Molecular Physics 25: 35. doi:10.1080/00268977300100051.  edit
  24. ^ Allison, D. J.; Handy, N. C.; Boys, S. F. (1973). "A new basis set for molecular wavefunctions". Molecular Physics 26 (3): 715. doi:10.1080/00268977300102031.  edit
  25. ^ Bucknell, M. G.; Handy, N. C.; Boys, S. F. (1974). "Vibration-rotation wavefunctions and energies for any molecule obtained by a variational method". Molecular Physics 28 (3): 759. doi:10.1080/00268977400102121.  edit
  26. ^ Hall, G. G. (1996). "INVITED PAPER Samuel Francis Boys 1911-1972". Molecular Physics 88 (2): 309–314. doi:10.1080/00268979650026352.  edit
  27. ^ Handy, N. C.; Pople, J. A.; Shavitt, I. (1996). "Samuel Francis Boys". The Journal of Physical Chemistry 100 (15): 6007. doi:10.1021/jp963465d.  edit


External links[edit]

  • Lost Boys of Quantum Chemistry: Chemistry World, August 2010. Profile_tcm18-187527.pdf