Implementation of the diagonalization-free algorithm in the self-consistent field procedure within the four-component relativistic scheme-Reference-Cited by-同舟云学术

Implementation of the diagonalization-free algorithm in the self-consistent field procedure within the four-component relativistic scheme

Author:

Hrdá Marcela¹,Kulich Tomáš²,Repiský Michal¹³,Noga Jozef¹⁴⁵,Malkina Olga L.¹⁴,Malkin Vladimir G.¹

Affiliation:

1. Department of Theoretical Chemistry; Institute of Inorganic Chemistry; Slovak Academy of Sciences; SK-84536 Bratislava Slovakia

2. Department of Computer Science; Faculty of Mathematics, Physics and Informatics, Comenius University; SK-84248 Bratislava Slovakia

3. Department of Chemistry; The Centre for Theoretical and Computational Chemistry (CTCC), UiT, The Arctic University of Norway; N-9037 Tromsø Norway

4. Department of Inorganic Chemistry; Faculty of Natural Sciences, Comenius University; SK-84215 Bratislava Slovakia

5. Computing Centre; Slovak Academy of Sciences; SK-84545 Bratislava Slovakia

Funder

Grant Agency of the Ministry of Education of the Slovak Republic and Slovak Academy of Sciences VEGA

Norwegian Supercomputing Program

Research Council of Norway

Slovak Research and Development Agency

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

Reference64 articles.

Cited by 8 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