Finite Size Scaling Method for Quantum Critical Phenomena and Stability of Atomic and Molecular Systems.


  The study of quantum phase transitions, which are driven by quantum fluctuations as a consequence of Heisenberg's uncertainty principle, continues to be of increasing interest in the field of atomic and molecular physics. This is motivated by the recent experimental searches for the smallest stable multiply charged anions, experimental and theoretical work on the stability of atoms and molecules in external electric and magnetic fields, design and control electronic properties of materials using quantum dots, study of selectively breaking chemical bonds in polyatomic molecules and phase transitions of finite clusters.
 
  In this field we have established an analogy between symmetry breaking of electronic structure configurations and quantum phase transitions. Furthermore we have developed the finite size scaling method for quantum systems. In this case, the finite size corresponds not to the spatial dimension but to the number of elements in a complete basis set used to expand the exact wave function of a given Hamiltonian.





  • Finite Size Scaling for the Atomic Shannon-Information Entropy, Qicun Shi and Sabre Kais, J. Chem. Phys. 121, 5611-5617 (2004). Selected for the September 2004 issue of Virtual Journal of Quantum Information.

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  • Finite Size Scaling for Critical Conditions for Stable Quadrupole-Bound Anions, Alejandro Ferron, Pablo Serra and Sabre Kais, J. Chem. Phys. 120, 8412-8419 (2004).

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  • Finite Size Scaling for Critical Conditions for Stable Dipole-Bound Anions, Pablo Serra and Sabre Kais, Chemical Physics Letters ,372, 205-209 (2003).

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  • Finite Size Scaling for Atomic and Molecular Systems", Sabre Kais and Pablo Serra Advances in Chemical Physics, , Volume 125, 1-100 (2003)

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  • Finite-size scaling for Mott metal-insulator transition on a half filled nonpartite lattice", J. X. Wang and Sabre Kais, Phys. Rev. B (Rapid Communications) , 66, 081101-4 (2002).

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  • Finite size scaling for critical parameters of simple diatomic molecules ", Qicun Shi and Sabre Kais, Molecular Physics , 98, 1485-1495 (2000).

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  • Quantum Critical Phenomena and Stability of Atomic and Molecular Ions", Sabre Kais and Pablo Serra, Int. Rev. Phys. Chem. , Vol 19,97-121 (2000).

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  • Finite Size Scaling in Quantum Mechanics", Pablo Serra, Juan Pablo Neirotti and Sabre Kais, J. Phys. Chem. A , 102, 9518-9522 (1998).

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  • Electronic Structure Critical Parameters for the Lithium Isoelectronic Series" , P. Serra, J.P. Neirotti and S. Kais, Phys. Rev. Letters , 80, 5293-5296 (1998).

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  • Finite-Size Scaling Approach for the Schrodingre Equation" , P. Serra, J.P. Neirotti and S. Kais, Phys. Rev. A, Rapid Communications 57, R1481-1484 (1998).

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  • Electronic Structure Critical Parameters From Finite-Size Scaling", J. P. Neirotti, P. Serra, and S. Kais, Phys. Rev. Letters 79, 3142-3145 (1997).