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Systematically convergent basis sets for transition metals. I. All-electron correlation consistent basis sets for the 3d elements Sc–Zn

✍ Scribed by Balabanov, Nikolai B.; Peterson, Kirk A.

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Systematically convergent basis sets wit

✍ Peterson, Kirk A. 📂 Article 📅 2003 🏛 American Institute of Physics 🌐 English ⚖ 371 KB

Auxiliary basis sets for density fitting

✍ Hill, J. Grant; Platts, James A. 📂 Article 📅 2008 🏛 American Institute of Physics 🌐 English ⚖ 409 KB

Systematically convergent basis sets for

✍ Kirk A Peterson; Cristina Puzzarini 📂 Article 📅 2005 🏛 Springer 🌐 English ⚖ 181 KB

Systematically convergent basis sets wit

✍ Peterson, Kirk A.; Figgen, Detlev; Goll, Erich; Stoll, Hermann; Dolg, Michael 📂 Article 📅 2003 🏛 American Institute of Physics 🌐 English ⚖ 339 KB

Performance of Density Functional Theory

✍ Tekarli, Sammer M.; Drummond, Michael L.; Williams, T. Gavin; Cundari, Thomas R. 📂 Article 📅 2009 🏛 American Chemical Society 🌐 English ⚖ 216 KB

Consideration of spin states in determin

✍ Burke, Luke A.; Fazen, Paul J. 📂 Article 📅 2004 🏛 Royal Society of Chemistry 🌐 English ⚖ 171 KB