Quantum Phase Transitions and Stability of Atomic and Molecular Systems

Professor Sabre Kais

Department of Chemistry

Purdue University

May, 20, 2002

3:30pm, Chem 8335

The finite size scaling ansatz is combined with the variational method to extract information about critical behavior of quantum Hamiltonians. This approach is based on taking the number of elements in a complete basis set as the size of the system. As in statistical mechanics, the finite size scaling can then be used directly to the Schrodinger equation. This approach is general and gives very accurate results for the critical parameters, for which the bound state energy becomes absorbed or degenerate with a continuum. To illustrate the applications in quantum calculations, we present detailed calculations for stability of atomic and molecular systems and size effects in the electronic properties of quantum dots.

Relevant References: Physical Review Letters 79, 3142-3145 (1997) Physical Review Letters 80, 5293-5296 (1998) Molecular Physics 98, 1485-1495 (2000)