S. Francis Boys

Samuel Francis (Frank) Boys FRS (20 December 1911 – 16 October 1972) was a British theoretical chemist.[1][4][5][6][7][8][9][10][11][12][13][14][15][16][17][18][19][20][21][22][23][24][25][26][27][28][29]

Frank Boys
Born
Samuel Francis Boys

(1911-12-20)20 December 1911
Pudsey, Yorkshire, England
Died16 October 1972(1972-10-16) (aged 60)
Cambridge, England
NationalityBritish
Alma mater
Known forGaussian orbitals
ab initio quantum chemistry methods
AwardsFRS (1972)[1]
Scientific career
FieldsTheoretical chemistry
Institutions
Doctoral advisorMartin Lowry
Doctoral studentsNicholas C. Handy[2][3]

Education

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, and then, after Lowry's death in 1936, by Sir John Lennard-Jones.

Career

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.[30][31]

Awards and honours

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

References
  1. Coulson, C. A. (1973). "Samuel Francis Boys 1911-1972". Biographical Memoirs of Fellows of the Royal Society. 19: 94–115. doi:10.1098/rsbm.1973.0004.
  2. "Death of Professor Nicholas C. Handy, FRS". University of Cambridge. 8 October 2012. Archived from the original on 8 April 2013.
  3. Clary, David C.; Knowles, Peter J.; Tozer, David J. (2015). "Nicholas Charles Handy 17 June 1941 – 2 October 2012". Biographical Memoirs of Fellows of the Royal Society. 61: 145–160. doi:10.1098/rsbm.2015.0002. ISSN 0080-4606.
  4. 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. Bibcode:1949RSPSA.197...90B. doi:10.1098/rspa.1949.0052.
  5. 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. Bibcode:1950RSPSA.200..542B. doi:10.1098/rspa.1950.0036.
  6. 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. Bibcode:1950RSPSA.201..125B. doi:10.1098/rspa.1950.0047.
  7. 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. Bibcode:1953RSPSA.217..136B. doi:10.1098/rspa.1953.0050.
  8. 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. Bibcode:1953RSPSA.217..235B. doi:10.1098/rspa.1953.0059.
  9. Boys, S. F.; Cook, G. B.; Reeves, C. M.; Shavitt, I. (1956). "Automatic Fundamental Calculations of Molecular Structure". Nature. 178 (4544): 1207. Bibcode:1956Natur.178.1207B. doi:10.1038/1781207a0.
  10. 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. Bibcode:1960RSPSA.254..487B. doi:10.1098/rspa.1960.0034.
  11. 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. Bibcode:1960RSPSA.254..499B. doi:10.1098/rspa.1960.0035.
  12. 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. Bibcode:1960RSPSA.258..402B. doi:10.1098/rspa.1960.0195.
  13. Boys, S.; Cook, G. (1960). "Mathematical Problems in the Complete Quantum Predictions of Chemical Phenomena". Reviews of Modern Physics. 32 (2): 285. Bibcode:1960RvMP...32..285B. doi:10.1103/RevModPhys.32.285.
  14. Foster, J.; Boys, S. (1960). "A Quantum Variational Calculation for HCHO". Reviews of Modern Physics. 32 (2): 303. Bibcode:1960RvMP...32..303F. doi:10.1103/RevModPhys.32.303.
  15. Foster, J.; Boys, S. (1960). "Quantum Variational Calculations for a Range of CH2 Configurations". Reviews of Modern Physics. 32 (2): 305. Bibcode:1960RvMP...32..305F. doi:10.1103/RevModPhys.32.305.
  16. 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.
  17. Boys, S. F. (1966). "Localized Orbitals and Localized Adjustment Functions". In Per-Olov Lödin (ed.). Quantum Theory of Atoms, Molecules, and the Solid State, A Tribute to John C. Slater. Academic Press. p. 253. Bibcode:1966qtam.book..253B.
  18. 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.
  19. 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. Bibcode:1969RSPSA.309..195B. doi:10.1098/rspa.1969.0037.
  20. 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. Bibcode:1969RSPSA.309..209B. doi:10.1098/rspa.1969.0038.
  21. 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. Bibcode:1969RSPSA.310...43B. doi:10.1098/rspa.1969.0061.
  22. 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. Bibcode:1969RSPSA.310...63B. doi:10.1098/rspa.1969.0062.
  23. 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. Bibcode:1969RSPSA.311..309B. doi:10.1098/rspa.1969.0120.
  24. 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. Bibcode:1970MolPh..19..553B. doi:10.1080/00268977000101561.
  25. Bernardi, F.; Boys, S. F. (1973). "Explicit formula solutions of the contraction conditions for transcorrelated wavefunctions". Molecular Physics. 25 (1): 35–44. Bibcode:1973MolPh..25...35B. doi:10.1080/00268977300100051.
  26. Allison, D. J.; Handy, N. C.; Boys, S. F. (1973). "A new basis set for molecular wavefunctions". Molecular Physics. 26 (3): 715. Bibcode:1973MolPh..26..715A. doi:10.1080/00268977300102031.
  27. 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. Bibcode:1974MolPh..28..759B. doi:10.1080/00268977400102121.
  28. Hall, G. G. (1996). "INVITED PAPER Samuel Francis Boys 1911–1972". Molecular Physics. 88 (2): 309–314. Bibcode:1996MolPh..88..309H. doi:10.1080/00268979650026352.
  29. Handy, N. C.; Pople, J. A.; Shavitt, I. (1996). "Samuel Francis Boys". The Journal of Physical Chemistry. 100 (15): 6007. doi:10.1021/jp963465d.
  30. The lost Boys of quantum chemistry by Dermot Martin, Chemistry World, 30 July 2010
  31. The scientific contributions of S. F. Boys by Robert G. Parr, International Journal of Quantum Chemistry, 21/27 January 1973
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