iVI-TD-DFT: An Iterative Vector Interaction Method for Exterior/Interior Roots of TD-DFT

Huang, C; Liu, WJ

Liu, WJ (reprint author), Peking Univ, Coll Chem & Mol Engn, Inst Theoret & Computat Chem, Beijing Natl Ctr Mol Sci, Beijing 100871, Peoples R China.

JOURNAL OF COMPUTATIONAL CHEMISTRY, 2019; 40 (9): 1023

Abstract

The recently proposed iterative vector interaction (iVI) method for large Hermitian eigenvalue problems (Huang et al., J. Comput. Chem. 2017, 38, 2481......

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