47 citations · 78 across the 5 of their papers we have counts for
5 papers
CDFCI: High-Performance Parallel Software for Quantum Many-Body Eigenvalue Problems
Yuejia Zhang, Zhe Wang, Jianfeng Lu +1
CDFCI is a shared-memory parallel numerical program for computing low-lying eigenpairs of large-scale, non-relativistic fermionic Hamiltonians. The software is designed to handle a…
Coordinate Descent Full Configuration Interaction for Excited States
Zhe Wang, Zhiyuan Zhang, Jianfeng Lu +1
An efficient excited state method, named xCDFCI, in the configuration interaction framework, is proposed. xCDFCI extends the unconstrained nonconvex optimization problem in coordin…
Coordinate descent full configuration interaction
Zhe Wang, Yingzhou Li, Jianfeng Lu
We develop an efficient algorithm, coordinate descent FCI (CDFCI), for the electronic structure ground state calculation in the configuration interaction framework. CDFCI solves an…
Coordinate-wise descent methods for leading eigenvalue problem
Yingzhou Li, Jianfeng Lu, Zhe Wang
Leading eigenvalue problems for large scale matrices arise in many applications. Coordinate-wise descent methods are considered in this work for such problems based on a reformulat…
The full configuration interaction quantum Monte Carlo method in the lens of inexact power iteration
Jianfeng Lu, Zhe Wang
In this paper, we propose a general analysis framework for inexact power iteration, which can be used to efficiently solve high dimensional eigenvalue problems arising from quantum…