Results 291 to 294 of about 25,810,607 (294)

The Spin–Flip Approach Within Time-Dependent Density Functional Theory: Theory and Applications to Diradicals

Journal of Chemical Physics, 2003
Anna Krylov, Yihan Shao, Martin Head-Gordon   +2 more
exaly  

Time-dependent density-functional theory for multicomponent systems

Physical Review A, 1986
, Li, , Tong
openaire   +2 more sources

Chiroptical Properties From Time-Dependent Density Functional Theory. II. Optical Rotations of Small to Medium Sized Organic Molecules

Journal of Chemical Physics, 2002
Jochen Autschbach, Evert Jan Baerends, Serguei Patchkovskii   +2 more
exaly  

Time-Dependent Density Functional Theory

2006
openaire   +1 more source