Analytical gradients for core-excited states in the algebraic diagrammatic construction (ADC) framework.
暂无分享,去创建一个
Y. M. Rhee | A. Dreuw | P. Norman | D. Rehn | I. Brumboiu
[1] S. Techert,et al. Development of Ultrafast X-ray Free Electron Laser Tools in (Bio)Chemical Research , 2020, Topics in Applied Physics.
[2] J. Schirmer. Many-Body Methods for Atoms, Molecules and Clusters , 2018 .
[3] Jan Wenzel,et al. Development and Implementation of Theoretical Methods for the Description of Electronically Core-Excited States , 2016 .
[4] D. Rehn. Development of Quantum Chemical Methods for Excited-State and Response properties , 2015 .
[5] M. Wormit. Development and Application of Reliable Methods for the Calculation of Excited States: From Light-Harvesting Complexes to Medium-Sized Molecules , 2009 .