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The symmetrized Density-Matrix-Renormalization-Group (DMRG) method is used to study linear and nonlinear optical properties of Free base porphine and metallo-porphine. Long-range interacting model, namely, Pariser-Parr-Pople (PPP) model is…

介观与纳米尺度物理 · 物理学 2015-05-30 Manoranjan Kumar , Y. Anusooya Pati , S. Ramasesha

The quantum chemical version of the density matrix renormalization group (DMRG) method has established itself as one of the methods of choice for calculations of strongly correlated molecular systems. Despite its great ability to capture…

化学物理 · 物理学 2021-08-31 Pavel Beran , Mikuláš Matoušek , Michał Hapka , Katarzyna Pernal , Libor Veis

A new application of the density matrix renormalization group (DMRG) method to a system composed of an interacting dot coupled to a infinite one dimensional lead is presented. This method enables one to study the influence of the coupling…

介观与纳米尺度物理 · 物理学 2007-05-23 Richard Berkovits

The density matrix renormalization group (DMRG) method introduced by White for the study of strongly interacting electron systems is reviewed; the method is variational and considers a system of localized electrons as the union of two…

强关联电子 · 物理学 2009-10-31 G. Fano , F. Ortolani , L. Ziosi

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…

化学物理 · 物理学 2024-11-13 Nicholas Bauman , Libor Veis , Karol Kowalski , Jiri Brabec

The Density Matrix Renormalization Group (DMRG) has become a powerful numerical method that can be applied to low-dimensional strongly correlated fermionic and bosonic systems. It allows for a very precise calculation of static, dynamic and…

强关联电子 · 物理学 2008-11-26 Karen Hallberg

The density matrix renormalization group (DMRG) method has already proved itself as a very efficient and accurate computational method, which can treat large active spaces and capture the major part of strong correlation. Its application on…

化学物理 · 物理学 2022-10-31 Pavel Beran , Katarzyna Pernal , Fabijan Pavosevic , Libor Veis

We study the dynamical density matrix renormalization group (DDMRG) and time-dependent density matrix renormalization group (td-DMRG) algorithms in the ab initio context, to compute dynamical correlation functions of correlated systems. We…

化学物理 · 物理学 2017-11-21 Enrico Ronca , Zhendong Li , Carlos A. Jimenez-Hoyos , Garnet Kin-Lic Chan

The Density Matrix Renormalization Group (DMRG) has become a powerful numerical method that can be applied to low-dimensional strongly correlated fermionic and bosonic systems. It allows for a very precise calculation of static, dynamical…

凝聚态物理 · 物理学 2007-05-23 Karen Hallberg

We present a new implementation of the driven similarity renormalization group (DSRG) based on a density matrix renormalization group (DMRG) reference. The explicit build of high-order reduced density matrices is avoided by forming…

化学物理 · 物理学 2025-03-04 Chenyang Li , Xiaoxue Wang , Huanchen Zhai , Wei-Hai Fang

We have devised and implemented a local ab initio Density Matrix Renormalization Group (DMRG) algorithm to describe multireference nondynamic correlations in large systems. For long molecules that are extended in one of their spatial…

强关联电子 · 物理学 2009-11-11 Johannes Hachmann , Wim Cardoen , Garnet Kin-Lic Chan

In the past two decades, the density matrix renormalization group (DMRG) has emerged as an innovative new method in quantum chemistry relying on a theoretical framework very different from that of traditional electronic structure…

计算物理 · 物理学 2020-02-18 Alberto Baiardi , Markus Reiher

The density-matrix renormalization group (DMRG) is a numerical algorithm for the efficient truncation of the Hilbert space of low-dimensional strongly correlated quantum systems based on a rather general decimation prescription. This…

强关联电子 · 物理学 2009-11-10 Ulrich Schollwoeck

The Density Matrix Renormalization Group (DMRG) has become a powerful numerical method that can be applied to low-dimensional strongly correlated fermionic and bosonic systems. It allows for a very precise calculation of static, dynamic and…

凝聚态物理 · 物理学 2007-05-23 Karen Hallberg

I present a density-matrix renormalization-group (DMRG) method for calculating dynamical properties and excited states in low-dimensional lattice quantum many-body systems. The method is based on an exact variational principle for dynamical…

强关联电子 · 物理学 2009-11-07 Eric Jeckelmann

The density matrix renormalization group (DMRG) method allows for very precise calculations of ground state properties in low-dimensional strongly correlated systems. We investigate two methods to expand the DMRG to calculations of…

凝聚态物理 · 物理学 2009-10-31 Till D. Kuehner , Steven R. White

The accurate electronic structure calculation for strongly correlated chemical systems requires an adequate description for both static and dynamic electron correlation, and is a persistent challenge for quantum chemistry. In order to…

强关联电子 · 物理学 2020-08-18 Yinxuan Song , Yifan Cheng , Yingjin Ma , Haibo Ma

We implement an efficient numerical method to calculate response functions of complex impurities based on the Density Matrix Renormalization Group (DMRG) and use it as the impurity-solver of the Dynamical Mean Field Theory (DMFT). This…

强关联电子 · 物理学 2017-11-27 Y. Núñez Fernández , K. Hallberg

We present the theory of a density matrix renormalization group (DMRG) algorithm which can solve for both the ground and excited states of non-Hermitian transcorrelated Hamiltonians, and show applications in \emph{ab initio} molecular…

The density matrix renormalization group (DMRG) method and its applications to finite temperatures and two-dimensional systems are reviewed. The basic idea of the original DMRG method, which allows precise study of the ground state…

强关联电子 · 物理学 2009-11-10 Naokazu Shibata
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