Data Set For Projection-Based Density Matrix Renormalization Group in Density Functional Theory Embedding

NIAID Data Ecosystem2026-05-02 收录

密度矩阵重整化群

密度泛函理论嵌入

数据链接：

https://zenodo.org/record/13911980 数据链接链接失效反馈

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资源简介：

Funded by the National Science Center grant no 2021/43/I/ST4/02250

创建时间：

2024-10-10

CheMPS2: A free open-source spin-adapted implementation of the density matrix renormalization group for ab initio quantum chemistry

量子化学

密度矩阵重整化群

This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018) Abstract The density matrix renormalization group (DMRG) has become an indispensable numerica

Mendeley Data2024-06-25 更新50

Density Matrix Renormalization Group for Transcorrelated Hamiltonians: Ground and Excited States in Molecules

电子结构计算

密度矩阵重整化群

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 applicati

Figshare2023-03-28 更新10

The Embedded Density Matrix Renormalization Group: Size-Extensive and Quasi-Exact for Nonlinear Quantum Chemistry

密度矩阵重整化群

强关联量子化学

Tensor networks (TNs) and the breadth of algorithms acting on them have seen astounding success in simulating quantum many-body systems in the strongly interacting regime with both accuracy and effici

NIAID Data Ecosystem00

CheMPS2: A free open-source spin-adapted implementation of the density matrix renormalization group for ab initio quantum chemistry

量子化学

密度矩阵重整化群

This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018) Abstract The density matrix renormalization group (DMRG) has become an indispensable nu

doi.org40

Data Set For Projection-Based Density Matrix Renormalization Group in Density Functional Theory Embedding

密度泛函理论嵌入

密度矩阵重整化群

Funded by the National Science Center grant no 2021/43/I/ST4/02250

Zenodo2024-10-10 更新00