1a_introduction - WatsonGroupTCD/J2suscep GitHub Wiki

Introduction

Briefly, this code calculates coupling constants using the following Hamiltonian: [Heisenberg], [Dirac], [Vanvleck]


    Ĥ = -2 ∑i>j Jijsisj

where the terms have the following meanings:

Jij

  

The exchange coupling constant

sx

  

The spin operator.

Any definition of spin operators (formal spins or spin projections or spin densities or any other) can be used. Sometimes researchers exclude the pre-factor 2 in the above formula so this needs to be kept in mind while using this code.

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