Recash test site | Cross Cochrane | Activity https://recash.wpsoul.net/members/voicecave0/activity/ Activity feed for Cross Cochrane. Wed, 20 May 2026 19:08:40 +0000 https://buddypress.org/?v= en-US 30 hourly 2 ae9a4ab723194c08d899472df4919692 Cross Cochrane posted an update: Nuclear quantum effects are important in a variety of […] https://recash.wpsoul.net/activity/p/53463/ Wed, 11 Dec 2024 18:14:13 +0000 Nuclear quantum effects are important in a variety of chemical and biological processes. The constrained nuclear-electronic orbital density functional theory (cNEO-DFT) has been developed to include nuclear quantum effects in energy surfaces. Herein, we develop the analytic Hessian for cNEO-DFT energy with respect to the change in nuclear…[Read more]

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