2 Advanced Electronic Structure Theory for High-Accuracy …
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26. Shiozaki T, Gy˝ orffy W, Celani P, Werner HJ (2011) Communication: Extended multi-state
complete active space second-order perturbation theory: energy and nuclear gradients. J Chem
Phys 135(8):081106
27. Uchida K, Matsuoka T, Kobatake S, Yamaguchi T, Irie M (2001) Substituent effect on the
photochromic reactivity of bis(2-thienyl)perfluorocyclopentenes. Tetrahedron 57(21):4559–
4565
28. Vahtras O, Almlöf J, Feyereisen M (1993) Integral approximations for lcao-scf calculations.
Chem Phys Lett 213(5):514–518
29. Yanai T, Saitow M, Xiong XG, Chalupský J, Kurashige Y, Guo S, Sharma S (2017) Multistate
complete-active-space second-order perturbation theory based on density matrix renormalization group reference states. J Chem Theory Comput 13(10):4829–4840
41
26. Shiozaki T, Gy˝ orffy W, Celani P, Werner HJ (2011) Communication: Extended multi-state
complete active space second-order perturbation theory: energy and nuclear gradients. J Chem
Phys 135(8):081106
27. Uchida K, Matsuoka T, Kobatake S, Yamaguchi T, Irie M (2001) Substituent effect on the
photochromic reactivity of bis(2-thienyl)perfluorocyclopentenes. Tetrahedron 57(21):4559–
4565
28. Vahtras O, Almlöf J, Feyereisen M (1993) Integral approximations for lcao-scf calculations.
Chem Phys Lett 213(5):514–518
29. Yanai T, Saitow M, Xiong XG, Chalupský J, Kurashige Y, Guo S, Sharma S (2017) Multistate
complete-active-space second-order perturbation theory based on density matrix renormalization group reference states. J Chem Theory Comput 13(10):4829–4840