Zobrazeno 1 - 10
of 18 447
pro vyhledávání: '"MATRIX RENORMALIZATION-GROUP"'
Autor:
Nataf, Pierre
We have developed an efficient method for performing density matrix renormalization group (DMRG) simulations of the SU(N) Fermi-Hubbard chain with open boundary conditions, fully leveraging the SU(N) symmetry of the problem. This method extends a pre
Externí odkaz:
http://arxiv.org/abs/2412.13320
Nanoscale topological spin textures in magnetic systems are emerging as promising candidates for scalable quantum architectures. Despite their potential as qubits, previous studies have been limited to semiclassical approaches, leaving a critical gap
Externí odkaz:
http://arxiv.org/abs/2412.11585
Accurate electronic structure calculations are essential in modern materials science, but strongly correlated systems pose a significant challenge due to their computational cost. Traditional methods, such as complete active space self-consistent fie
Externí odkaz:
http://arxiv.org/abs/2412.07607
Autor:
Gu, Bing
We present a numerical implementation of the density matrix renormalization group (DMRG) using the discrete variable representation (DVR) basis set. One main advantage of using the local DVR basis sets is that the computations of one-electron integra
Externí odkaz:
http://arxiv.org/abs/2411.07477
The Density Matrix Renormalization Group (DMRG) method has become a prominent tool for simulating strongly correlated electronic systems characterized by dominant static correlation effects. However, capturing the full scope of electronic interaction
Externí odkaz:
http://arxiv.org/abs/2411.07325
Autor:
Wahyutama, Imam S., Larsson, Henrik R.
Publikováno v:
Journal of Chemical Theory and Computation, 2024
Compared to ground state electronic structure optimizations, accurate simulations of molecular real-time electron dynamics are usually much more difficult to perform. To simulate electron dynamics, the time-dependent density matrix renormalization gr
Externí odkaz:
http://arxiv.org/abs/2409.05959
Autor:
Menczer, Andor, van Damme, Maarten, Rask, Alan, Huntington, Lee, Hammond, Jeff, Xantheas, Sotiris S., Ganahl, Martin, Legeza, Örs
We report cutting edge performance results for a hybrid CPU-multi GPU implementation of the spin adapted ab initio Density Matrix Renormalization Group (DMRG) method on current state-of-the-art NVIDIA DGX-H100 architectures. We evaluate the performan
Externí odkaz:
http://arxiv.org/abs/2407.07411
The emerging field of polaritonic chemistry explores the behavior of molecules under strong coupling with cavity modes. Despite recent developments in ab initio polaritonic methods for simulating polaritonic chemistry under electronic strong coupling
Externí odkaz:
http://arxiv.org/abs/2407.01381
Autor:
Wang, Hao-Xin, Huang, Wen
Understanding the formation of novel pair density waves (PDWs) in strongly correlated electronic systems remains challenging. Recent mean-field studies suggest that PDW phases may arise in strong-coupling multiband superconductors by virtue of the qu
Externí odkaz:
http://arxiv.org/abs/2406.17187