Efficient Calculation of the Dispersion Energy for Multireference Systems with Cholesky Decomposition: Application to Excited-State Interactions
利用Cholesky分解高效计算多参考体系色散能:在激发态相互作用中的应用
期刊:Journal of Physical Chemistry Letters
影响因子:4.6
doi:10.1021/acs.jpclett.3c01568
Hapka, Michał; Krzemińska, Agnieszka; Modrzejewski, Marcin; Przybytek, Michał; Pernal, Katarzyna