A dual-level approach to four-component relativistic density-functional theory
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference50 articles.
1. A new computational scheme for the Dirac–Hartree–Fock method employing an efficient integral algorithm
2. A new implementation of four-component relativistic density functional method for heavy-atom polyatomic systems
3. A four-index transformation in Dirac's four-component relativistic theory
4. A highly efficient algorithm for electron repulsion integrals over relativistic four-component Gaussian-type spinors
5. A dual-level approach to density-functional theory
Cited by 3 articles. 订阅此论文施引文献 订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献
1. Dual Basis Set Approach for Density Functional and Wave Function Embedding Schemes;Journal of Chemical Theory and Computation;2018-07-26
2. One-Step Treatment of Spin–Orbit Coupling and Electron Correlation in Large Active Spaces;Journal of Chemical Theory and Computation;2017-12-22
3. Large-scale Dirac–Fock–Breit method using density fitting and 2-spinor basis functions;The Journal of Chemical Physics;2013-05-28
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