ﻻ يوجد ملخص باللغة العربية
We have proposed a density-matrix renormalization group (DMRG) scheme to optimize the one-electron basis states of molecules. It improves significantly the accuracy and efficiency of the DMRG in the study of quantum chemistry or other many-fermion system with nonlocal interactions. For a water molecule, we find that the ground state energy obtained by the DMRG with only 61 optimized orbitals already reaches the accuracy of best quantum Monte Carlo calculation with 92 orbitals.
In some cases the state of a quantum system with a large number of subsystems can be approximated efficiently by the density matrix renormalization group, which makes use of redundancies in the description of the state. Here we show that the achievab
We introduce the transcorrelated Density Matrix Renormalization Group (tcDMRG) theory for the efficient approximation of the energy for strongly correlated systems. tcDMRG encodes the wave function as a product of a fixed Jastrow or Gutzwiller correl
We analyze the ground-state energy, magnetization, magnetic susceptibility, and Kondo screening cloud of the symmetric single-impurity Anderson model (SIAM) that is characterized by the band width $W$, the impurity interaction strength $U$, and the l
A distributed-memory parallelization strategy for the density matrix renormalization group is proposed for cases where correlation functions are required. This new strategy has substantial improvements with respect to previous works. A scalability an
Driving a quantum system periodically in time can profoundly alter its long-time correlations and give rise to exotic quantum states of matter. The complexity of the combination of many-body correlations and dynamic manipulations has the potential to