General time-dependent configuration-interaction singles. I. Molecular case

被引：11

作者：

Carlstroem, Stefanos ^{[1
,2
]}

Spanner, Michael ^{[3
]}

Patchkovskii, Serguei ^{[1
]}

机构：

[1] Max Born Inst, Max Born Str 2A, D-12489 Berlin, Germany

[2] Lund Univ, Dept Phys, Box 118, S-22100 Lund, Sweden

[3] Natl Res Council Canada, 100 Sussex Dr, Ottawa, ON K1A 0R6, Canada

来源：

PHYSICAL REVIEW A | 2022年 / 106卷 / 04期

关键词：

DENSITY-FUNCTIONAL THEORY; MULTIELECTRON DYNAMICS; ELECTRON SYSTEMS; IONIZATION; FORMULATION; ALGORITHM; VELOCITY; LENGTH; FIELD;

D O I：

10.1103/PhysRevA.106.043104

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

We present a grid-based implementation of the time-dependent configuration-interaction singles method suitable for computing the strong-field ionization of small gas-phase molecules. After outlining the general equations of motion used in our treatment of this method, we present example calculations of strong-field ionization of He, LiH, H2O, and C2H4 that demonstrate the utility of our implementation. The following paper [S. Carlstrom et al., following paper, Phys. Rev. A 106, 042806 (2022)] specializes to the case of spherical symmetry, which is applied to various atoms.

引用

页数：13

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