论文标题

ASTRA,一种过渡密度矩阵方法,用于与原子和分子的Attosend辐射相互作用

ASTRA, A Transition Density Matrix Approach to the Interaction of Attosecond Radiation with Atoms and Molecules

论文作者

Randazzo, Juan M, Marante, Carlos, Chattopadhyay, Siddhartha, Gharibnejad, Heman, Schneider, Barry I, Olsen, Jeppe, Argenti, Luca

论文摘要

已经开发出一种新的形式主义和计算机代码Astra(Attsond Transitions),以治疗短而强烈的辐射与分子的相互作用。形式主义使用最先进的量子化学法规(LUCIA)进行了广泛的过渡密度矩阵,以有效计算模拟高度相关的电子动力学所需的多体通道间耦合相互作用,该相互作用是由于原子和分子而导致的,并暴露于Attosecond Laser radiation。

A new formalism and computer code, ASTRA (AttoSecond TRAnsitions), has been developed to treat the interactions of short, intense radiation with molecules. The formalism makes extensive use of transition density matrices, computed using a state-of-the-art quantum chemistry code (LUCIA), to efficiently calculate the many-body inter-channel-coupling interactions required to simulate the highly correlated electron dynamics due to atoms and molecules exposed to attosecond laser radiation.

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