Nama : I Wayan Agustika //NPM : 1413023025// Prodi : Pen.

Kimia (B)
R (atomic unit) r1a r2b r12 K (Intergral Exchange) J (Integral Coulomb)
0.1 0.05 0.05 0.1 0 2.11145618
0.5 0.25 0.25 0.5 -4 0.422291236
1 0.5 0.5 1 -2 0.211145618
1.5 0.75 0.75 1.5 -1.3333333333 0.1407637453
2 1 1 2 -1 0.105572809
2.5 1.25 1.25 2.5 -0.8 0.0844582472
3 1.5 1.5 3 -0.6666666667 0.0703818727
3.5 1.75 1.75 3.5 -0.5714285714 0.0603273194
4 2 2 4 -0.5 0.0527864045

R r1b r2a r12

6
0.1 0.1118033989 0.1118033989 0.1
0.5 0.5590169944 0.5590169944 0.5 5

1 1.1180339887 1.1180339887 1 4
1.5 1.6770509831 1.6770509831 1.5
3
2 2.2360679775 2.2360679775 2
2
2.5 2.7950849719 2.7950849719 2.5
3 3.3541019662 3.3541019662 3 1
3.5 3.9131189606 3.9131189606 3.5 0
4 4.472135955 4.472135955 4 0 0.5 1 1.5 2 2.5 3 3.5 4 4.5
-1

R E+ E- -2

0.1 3.11145618 3.11145618 -3

0.5 -2.577708764 5.422291236 E+ E- R
1 -0.788854382 3.211145618
1.5 -0.192569588 2.4740970787
2 0.105572809 2.105572809
2.5 0.2844582472 1.8844582472
3 0.403715206 1.7370485393
3.5 0.488898748 1.6317558909
4 0.5527864045 1.5527864045