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

美法合作研究：多参考自洽尺寸广泛配置交互

• 批准号: 9603373
• 负责人: Ludwik Adamowicz
• 金额: $ 1.8万
• 依托单位: University of Arizona
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 1997
• 资助国家: 美国
• 起止时间: 1997-04-01 至 2001-03-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9603373&HistoricalAwards=false
• 关键词: U.S.; France; Cooperative; Research; Multi

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.

这三年的美国奖-法国理论与实践合作研究 计算化学涉及Ludwik Adamowicz的理论化学组 亚利桑那大学的Jean-Pierre Malrieu的研究小组 法国图卢兹的保罗·萨巴蒂尔大学。 该奖项提供旅行支持博士。 Adamowicz，博士后研究员和研究生。 的目的 研究是为了开发新的，更精确的量子力学从头算方法， 应用French方法计算分子和团簇的电子激发态 群的变分组态相互作用方法。该项目利用了 亚利桑那州和图卢兹集团的互补专业知识，并将推进 理解计算分子系统的方法。