Time-dependent and strongly-contracted N-electron valence perturbation theories with matrix product state reference wave functions for large active spaces and basis sets: Applications to the chromium dimer and all-trans polyenes
نویسندگان
چکیده
X iv :1 70 3. 10 83 0v 2 [ ph ys ic s. ch em -p h] 8 A pr 2 01 7 Time-dependent and strongly-contracted N-electron valence perturbation theories with matrix product state reference wave functions for large active spaces and basis sets: Applications to the chromium dimer and all-trans polyenes Alexander Yu. Sokolov, a) Sheng Guo, Enrico Ronca, and Garnet Kin-Lic Chan b) Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, CA 91125, USA
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