U.S.-France Cooperative Research: Multi-Reference Self- Consistent Size Extensive Configuration Interaction

这项为期三年的美法理论和计算化学合作研究奖涉及亚利桑那大学路德维克·阿达莫维奇的理论化学小组和法国图卢兹保罗·萨巴蒂尔大学的让-皮埃尔·马尔里奥的研究小组。该奖项为Adamowicz博士提供旅行支持，Adamowicz博士是博士后研究员，也是研究生。这项研究的目的是发展新的、更精确的量子力学从头算方法，通过应用法国小组的变分组态相互作用方法来计算分子和团簇的电子激发态。该项目利用了亚利桑那州和图卢兹小组的互补专业知识，并将促进对分子系统计算方法的理解。

This three-year award for U.S.-France cooperative research in theoretical and computational chemistry involves the theoretical chemistry group of Ludwik Adamowicz at the University of Arizona and the research group of Jean-Pierre Malrieu at the Universite Paul Sabatier, in Toulouse, France. The award provides travel support to Dr. Adamowicz, a postdoctoral researcher and a graduate student. The objective of the research is to develop new, more accurate quantum-mechanical ab-initio methods for calculating electronic excited states of molecules and clusters by applying the French group's method of variational configuration interaction. The project takes advantage of the complementary expertise of the Arizona and Toulouse groups and will advance understanding of methods for calculating molecular systems.