A Density Functional Theory View of Quantum Phase Transitions

作者：Nagy A^*; Calixto M; Romera E

来源：Journal of Chemical Theory and Computation, 2013, 9(2): 1068-1072.

DOI：10.1021/ct301015n

It is shown that there is a one-to-one map between the ground state wave function and the control parameter. Wu et al. [Phys. Rev. A 2006, 74, 052335] introduced an analogue of the Density Functional Theory (DFT) density and showed that the %26quot;density%26quot; determines the %26quot;control parameter%26quot; (corresponding to the DFT %26quot;external potential%26quot;). We prove that any strictly monotonous function can be used to obtain a new density with a different control parameter (or DFT %26quot;external potential%26quot;), and the new density determines the new control parameter. Moreover, there is also a one-to-one map between the Renyi entropy of a given order and the control parameter. Therefore, the Renyi entropy can be used as a control parameter.

• 出版日期2013-2