Efficient Reconstruction of CAS-CI-Type Wave Functions for a DMRG State Using Quantum Information Theory and a Genetic Algorithm - Luo, Zhen; Ma, Yingjin; Liu, Chungen; Ma, Haibo (Journal of chemical theory and computation, 2017)
Keywords: Configuration interaction; Genetic algorithms; Hilbert space; Information theory; Metal compounds; Molecular chains; Quantum phenomena; Quantum theory; Transition metal compounds; Wave functions