Abstract
Molecular properties can today be calculated by ab initio quantum chemistry methods to a high degree of accuracy. To a large extend it is due to the tremendous progress in the development of efficient numerical algorithms for solving quantum chemistry problems and the simultaneously increased computational capabilities on modern computers.
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References
H. Boerner. Representations of Groups. North Holland Publ., Amsterdam, 1963. (German edition, Springer-Verlag, Berlin, 1955).
A.J. Coleman. The Symmetric Group Made Easy. In P.-O. Löwdin, editor, Advances in Quantum Chemistry, volume 4, pages 83–108. Academic Press, London, 1968.
H.S.M Coxeter, G.F.D. Duff, D.A.S. Fraser, G. de B. Robinson, and P.G. Rooney, editors. The Collected Papers of Alfred Young, 1873–1940, volume 21 of Matematical Expositions. University of Toronto Press, Toronto, 1977.
P.A.M. Dirac. On the Theory of Quantum Mechanics. Proc. Roy Soc. (London), A112:661, 1926.
W. Duch and J. Karwowski. Symmetric Group Approach to Configuration Interaction Methods. In G.H.F. Diercksen, editor, Computer Physics Reports, volume 2, pages 93–170. North-Holland Physics Publishing Division, Amsterdam, 1985.
J. Gerratt. General theory of spin-coupled wave functions for atoms and molecules. In D.R. Bates, editor, Advances in Atomic and Molecular Physics, volume 7, pages 141–221. Academic Press, London, 1971.
M. Hamermesh. Group Theory and Its Applications to Physical Problems. Addison-Wesley Publ., London, 1964.
J. Hinze, editor. The Unitary Group for the Evaluation of Electronic Energy Matrix Elements, volume 22 of Lecture Notes in Chemistry. Springer-Verlag, Berlin, 1981.
J. Karwowski. Matrix Elements of One-and Two-Electron Operators. Theoret. Chim. Acta (Berl.), 29:151–166, 1973.
M. Kotani, A. Amemiya, I. Ishiguro, and T. Kimura. Tables of Molecular Integrals. Maruzen, Tokyo, 1955.
F.A. Matsen. Spin-Free Quantum Chemistry. In P.-O. Löwdin, editor, Advances in Quantum Chemistry, volume 1, pages 59–114. Academic Press, London, 1964.
J. Paldus. Many-Electron Correlation Problem. A Group Theoretical Approach. In H. Eyring and D. Henderson, editors, Theoretical Chemistry: Advances and Perspectives, volume 2, pages 131–290. Academic Press, New York, 1976.
R. Pauncz. Spin Eigenfunctions: Construction and Use. Plenum, New York, 1979.
R. Pauncz. The Symmetric Group in Quantum Chemistry. CRC Press, Boca Raton, 1995.
S. Rettrup, G.L. Bendazzoli, S. Evangelisti, and P. Palmieri. A Symmetric Group Approach to the Calculation of Electronic Correlation Effects in Molecules. In J.S. Avery, J.P. Dahl, and Aa.E. Hansen, editors, Understanding Molecular Properties, pages 533–546. Reidel Publ. Co., Dordrecht, Holland, 1987.
G. de B. Robinson. Representation Theory of Symmetric Groups. University of Toronto Press, Toronto, 1961.
D.E. Rutherford. Substitutional Analysis. Edingburgh University Press, Edingburgh, 1948.
C.R. Sarma and S. Rettrup. A Programmable Spin-Free Method for Configuration Interaction. Theoret. Chim. Acta (Berl.), 46:63–72, 1977.
J.C. Slater. Theory of Complex Spectra. Phys. Rev., 34:1293–1322, 1929.
J.C. Slater. Molecular Energy Levels and Valence Bonds. Phys. Rev., 38:1109–1144, 1931.
H. Weyl. The Theory of Groups and Quantum Mechanics. Dover, London, 1950. (Originally published in german in 1931).
E.P. Wigner. Group Theory and Its Application to the Quantum Mechanics of Atomic Spectra. Academic Press, London, 1959. (Originally published in German 1931).
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Rettrup, S. (1997). The Permutation Group in Many-Electron Theory. In: Calais, JL., Kryachko, E. (eds) Conceptual Perspectives in Quantum Chemistry. Springer, Dordrecht. https://doi.org/10.1007/978-94-011-5572-4_7
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DOI: https://doi.org/10.1007/978-94-011-5572-4_7
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