Quantum constraints in π systems: The role of the Pauli antisymmetry principle for π electronic properties

Zeitschrift fur Naturforschung - Section A Journal of Physical Sciences

Volumn 52, Issue 10, 1997, Pages 717-726

  Böhm, Michael C ^a   Schütt, Johannes ^a  

^a DARMSTADT UNIVERSITY OF TECHNOLOGY   (Germany)

Author keywords

Aromaticity vs. antiaromaticity; Green's function quantum Monte Carlo simulations; Pauli antisymmetry and exclusion principle; Quantum statistics; Electronic properties

Indexed keywords

EID: 0041107278     PISSN: 09320784     EISSN: None     Source Type: Journal    
DOI: 10.1515/zna-1997-1006     Document Type: Article

References (27)

1. E. Hückel, Z. Physik 76, 628 (1932).
2. A. Streitwieser, Jr., Molecular Orbital Theory for Chemists, Addison-Wesley, New York 1961.
3. M. A. Lee, K. A. Motakabbir, and K. E. Schmidt, Phys. Rev. Lett. 53, 1191 (1984).
4. M. A. Lee, S. Klemm, and S. Risser, in: Condensed Matter Theories, Vol. 1, F.B. Malik (ed.), Plenum, New York 1986, p. 89.
5. B. L. Hammond, W. A. Lester, and P. J. Reynolds, World Scientific Lecture Notes in Chemistry - Vol 1, Monte Carlo Methods in ab initio Quantum Chemistry, World Scientific, Singapore 1994.
6. J. B. Anderson, in: Understanding Chemical Reactivity: Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy, S. R. Langhoff (ed.), Kluwer, New York 1995.
7. M. C. Böhm, J. Schulte, and L. Utrera, Mol. Phys. 79, 239 (1993).
8. J. Schütt, J. Schulte, M. C. Böhm, and Z. G. Soos, Mol. Phys. 84, 1127 (1995).
9. J. Schütt and M. C. Böhm, Mol. Phys. 85, 1217 (1995).
10. J. Schütt and M. C. Böhm, Phys. Lett. A 219, 79 (1996).
11. Z. G. Soos and S. Ramasesha, Phys. Rev. B 29, 5410 (1984).
12. S. Kuwajima and Z. G. Soos, J. Amer. Chem. Soc. 108, 107 (1987).
13. E. Fradkin, Field Theories of Condensed Matter Systems, Addison-Wesley, New York 1991.
14. P. Jordan and E. Wigner, Z. Physik 47, 631 (1928).
15. C. A. Coulson and A. Streitwieser, Jr., Dictionary of π-Electron Calculations, Pergamon, New York 1965.
16. E. Heilbronner and H. Bock, Das HMO-Modell und seine Anwendung. Tabellen berechneter und experimenteller Größen, Verlag Chemie, Weinheim 1970.
17. R. Pariser and R. G. Parr, J. Chem. Phys. 21, 446, 767 (1953).
18. J. A. Pople, Trans. Faraday Soc. 42, 1375 (1953).
19. J. Schütt and M. C. Böhm, J. Amer. Chem. Soc. 114, 7252 (1992).
20. M. C. Böhm, U. Schmitt, and J. Schütt, J. Phys. Chem. 97, 11427 (1993).
21. S. Sorella, S. Baroni, R. Car, and M. Parrinello, Europhys. Lett. 8, 663 (1989).
22. E. Y. Loh, Jr., J. E. Gubernatis, R. T. Scalettar, R. S. White, D. J. Scalapino, and R. L. Sugar, Phys. Rev. B 41, 9301 (1990).
23. J. Schütt and M. C. Böhm, Mol. Phys., in press.
24. W. Heisenberg, Z. Physik 43, 127 (1927).
25. A. Streitwieser and C. H. Heathcook, Organische Chemie, Verlag Chemie, Weinheim 1990.
26. P. W. Anderson, Phys. Rev. 109, 1402 (1958).
27. I. Gutman, M. Milun, and N. Trinajtíc, J. Amer. Chem. Soc. 99, 1692 (1977).