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Acceleration of self-consistent field convergence in ab initio molecular dynamics simulation with multiconfigurational wave function

✍ Scribed by Okoshi, Masaki; Nakai, Hiromi

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Acceleration of self-consistent-field co

✍ Teruo Atsumi; Hiromi Nakai 📂 Article 📅 2010 🏛 Elsevier Science 🌐 English ⚖ 456 KB

Ab initio calculation of the barrier to

✍ Unland, Mark L.; Van Wazer, John R.; Letcher, John H. 📂 Article 📅 1969 🏛 American Chemical Society 🌐 English ⚖ 861 KB