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Calculation of semiconductor band gaps with the M06-L density functional

✍ Scribed by Zhao, Yan; Truhlar, Donald G.

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Approximation to density functional theo

✍ Ferreira, Luiz G.; Marques, Marcelo; Teles, Lara K. 📂 Article 📅 2008 🏛 The American Physical Society 🌐 English ⚖ 236 KB

Hybrid density functional calculations o

✍ Wu, Xifan; Walter, Eric J.; Rappe, Andrew M.; Car, Roberto; Selloni, Annabella 📂 Article 📅 2009 🏛 The American Physical Society 🌐 English ⚖ 233 KB

Good semiconductor band gaps with a modi

✍ Bylander, D. M.; Kleinman, Leonard 📂 Article 📅 1990 🏛 The American Physical Society 🌐 English ⚖ 239 KB

Accurate determination of band gaps with

✍ Singh, Prashant; Harbola, Manoj K.; Sanyal, Biplab; Mookerjee, Abhijit 📂 Article 📅 2013 🏛 The American Physical Society 🌐 English ⚖ 578 KB

Performance of the M06-L density functio

✍ Jie Cao; Tanja van Mourik 📂 Article 📅 2010 🏛 Elsevier Science 🌐 English ⚖ 554 KB

A comparison of the chemical reactivity

✍ Glossman-Mitnik, Daniel 📂 Article 📅 2013 🏛 Chemistry Central 🌐 English ⚖ 190 KB