Electronic Structure of Cyanocobalamin: DFT plus QMC Study

Mayda, S; Kandemir, Z; Bulut, N

Mayda, S (reprint author), Izmir Inst Technol, Dept Phys, TR-35430 Urla, Turkey.; Mayda, S (reprint author), Izmir Inst Technol, Dept Mat Sci & Engn, TR-35430 Urla, Turkey.

JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM, 2017; 30 (11): 3301

Abstract

We study the electronic structure and the magnetic correlations of cyanocobalamin (C63H88CoN14O14P) by using the framework of the multi-orbital single......

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