Yoshio Nishimoto. Analytic first-order derivatives of CASPT2 with IPEA shift. The Journal of Chemical Physics. 2023
Yoshio Nishimoto, Stefano Battaglia, Roland Lindh. Analytic First-Order Derivatives of (X)MS, XDW, and RMS Variants of the CASPT2 and RASPT2 Methods. Journal of Chemical Theory and Computation. 2022
Yoshio Nishimoto. Analytic gradients for restricted active space second-order perturbation theory (RASPT2). The Journal of Chemical Physics. 2021
Yoshio Nishimoto, Dmitri G. Fedorov. The fragment molecular orbital method combined with density-functional tight-binding and periodic boundary conditions. The Journal of Chemical Physics. 2021