Quantum chemistry in the University of Cambridge
作者： Nicholas C. Handy
DOI: 10.1080/01442358809353217
关键词: Service (economics) 、 Work (electrical) 、 Period (music) 、 Mathematics education 、 Engineering 、 Engineering physics
摘要: Abstract Important developments in the theory and application of Quantum Chemistry during period 1948-88, arising from work theoretical chemists at University Cambridge, are discussed. The outstanding contributions S.F. Boys detailed, significance that this 1950s had on quantum chemistry is recognized. A description Boys' later also given. An outline some Cambridge last ten years described. list names or researchers for advances which have been made linked to history development computer service,
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sci-hub.se 参考文章(89)
K. P. Lawley, Ab initio methods in quantum chemistry Wiley. ,(1987)
Geometrical derivatives of energy surfaces and molecular properties D. Reidel , Sold and distributed in the U.S.A. and Canada by Kluwer Academic Publishers. ,(1986) , 10.1007/978-94-009-4584-5
A.J. Stone, M. Alderton, Distributed multipole analysis Molecular Physics. ,vol. 56, pp. 1047- 1064 ,(2006) , 10.1080/00268978500102891
Ron Shepard, The Multiconfiguration Self-Consistent Field Method Advances in Chemical Physics. ,vol. 69, pp. 63- 200 ,(2007) , 10.1002/9780470142943.CH2
V.R. Saunders, J.H. van Lenthe, The direct CI method Molecular Physics. ,vol. 48, pp. 923- 954 ,(2006) , 10.1080/00268978300100661
Electronic Wave Functions. XI. A Calculation of Eight Variational Wave Functions for Cl, Cl - , S and S - Philosophical transactions - Royal Society. Mathematical, physical and engineering sciences. ,vol. 246, pp. 451- 462 ,(1954) , 10.1098/RSTA.1954.0004
J. Gerratt, I. M. Mills, Force Constants and Dipole‐Moment Derivatives of Molecules from Perturbed Hartree–Fock Calculations. I The Journal of Chemical Physics. ,vol. 49, pp. 1719- 1729 ,(1968) , 10.1063/1.1670299
Per E. M. Siegbahn, Generalizations of the direct CI method based on the graphical unitary group approach. I. Single replacements from a complete CI root function of any spin, first order wave functions Journal of Chemical Physics. ,vol. 70, pp. 5391- 5397 ,(1979) , 10.1063/1.437473
Erwin Bareiss, D. R. Hartree, The calculation of atomic structures ,(1957)
Ian L. Alberts, Timothy W. Rowlands, Nicholas C. Handy, Stationary points on the potential energy surfaces of (C2H2)2, (C2H2)3, and (C2H4)2 Journal of Chemical Physics. ,vol. 88, pp. 3811- 3816 ,(1988) , 10.1063/1.453881