Electronic Structure of Strongly Correlated Systems

Table 9

The effective exchange coupling constants calculated from the LDA+𝑈 total energies for the in-line and zig-zag CO models [245].

	CO	𝐽 (meV)
𝐽1	In-line	29.0
𝐽3		−5.0
𝐽0	Zig-zag	−18.0
𝐽2		32.7
𝐽^3		−4.9