报告题目：Studies with the Complex Scaled Spin Tensor Electron Propagator Method (CMCSTEP)
报 告 人：Danny L. Yeager 教授（Texas A&M University, USA）
报告时间：2019年4月17日（星期三）上午10:30
报告地点：威廉希尔 六层学术报告厅（致知楼3623）
报告摘要：
Electron atom/molecule resonances are temporary bound states in the continuum. We have developed and used some complex scaled multiconfigurational methods for the determination of resonance parameters for electron–atom and electron–molecule systems including open-shell initial and/or final states and highly correlated (nondynamical correlation) atoms and molecules. I present the theoretical background of complex scaling method to study electron–atom/molecule resonances. Then I discuss the complex scaled multiconfigurational self-consistent field method (CMCSCF) and the complex scaled multiconfigurational spin-tensor electron propagator method (CMCSTEP). In real space the multiconfigurational spin-tensor electronpropagator (MCSTEP) method gives very accurate and reliable ionization potentials and electron affinities. Similar good results for resonances are determined in complex space.
报告人简介：
Education: * BS with Honors and Highest Distinction in Chemistry from the University of Iowa: September 1964 -- June 1968 * BA with Highest Distinction (BS not offered) in Physics and Mathematics from the University of Iowa: September 1964 -- June 1968 * Ph.D. from the California Institute of Technology in Theoretical Chemistry (Research Advisor: B. Vincent McKoy): September 1970 -- February 1975 Employment: Post-doctoral work with Karl Freed at the University of Chicago: February 1975- January 1978 * Assistant Professor: January 1978 - August 1983 * Associate Professor: September 1983 - August 1987 * Professor: September 1987 - present |
Prof. Danny L. Yeager |
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威廉希尔
2019年4月12日
