✦ LIBER ✦

Formation enthalpies by mixing GGA and GGA + U calculations

✍ Scribed by Jain, Anubhav (author);Hautier, Geoffroy (author);Ong, Shyue Ping (author);Moore, Charles J. (author);Fischer, Christopher C. (author);Persson, Kristin A. (author);Ceder, Gerbrand (author)

Book ID: 115529783
Publisher: The American Physical Society
Year: 2011
Tongue: English
Weight: 616 KB
Volume: 84
Category: Article
ISSN: 1098-0121
DOI: 10.1103/physrevb.84.045115

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Formation enthalpies by mixing GGA and G

Formation enthalpies by mixing GGA and GGA + U calculations

✍ Jain, Anubhav (author);Hautier, Geoffroy (author);Ong, Shyue Ping (author);Moore 📂 Article 📅 2011 🏛 The American Physical Society 🌐 English ⚖ 616 KB

GGA and GGA+U calculations of the ground

GGA and GGA+U calculations of the ground state of SrMnO3

✍ Jian Ni 📂 Article 📅 2010 🏛 Elsevier Science 🌐 English ⚖ 390 KB

GGA and LDA + U calculations of Pu phase

GGA and LDA + U calculations of Pu phases

✍ J. Bouchet; R.C. Albers; G. Jomard 📂 Article 📅 2007 🏛 Elsevier Science 🌐 English ⚖ 335 KB

Electronic structure of Co-phthalocyanin

Electronic structure of Co-phthalocyanine calculated by GGA+U and hybrid functional methods

✍ Satadeep Bhattacharjee; Barbara Brena; Rudra Banerjee; Heiko Wende; Olle Eriksso 📂 Article 📅 2010 🏛 Elsevier Science 🌐 English ⚖ 624 KB

Realizing the semiconducting state of de

Realizing the semiconducting state of delafossite AgFeO2 by GGA + U calculations

✍ Khuong P. Ong; Kewu Bai; Ping Wu 📂 Article 📅 2008 🏛 Elsevier Science 🌐 English ⚖ 904 KB

Half-metallicity and electronic structur

Half-metallicity and electronic structures for wurtzite YC and YC/ZnS (101¯0) interface: By GGA and GGA+mBJ calculation

✍ Fan, S.W.; Huang, X.P.; Ding, L.J.; Wang, Z.L.; Yao, K.L. 📂 Article 📅 2014 🏛 Elsevier Science 🌐 English ⚖ 660 KB