QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: GJK on April 13, 2015, 09:15

Title: optical spectrum-reg
Post by: GJK on April 13, 2015, 09:15

We have the tutorial for calculating the static dielectric constant for isotropic materials from optical spectrum

What is the formula for calculating the same for anisotropic materials from optical spectrum, where we have varying values along x y z directions

Thanks in advance

Title: Re: optical spectrum-reg
Post by: Anders Blom on April 13, 2015, 10:50

Same, it's just that the dielectric "constant" is not just a number, it's a tensor.

Title: Re: optical spectrum-reg
Post by: GJK on April 17, 2015, 05:59

For isotopic material the value will be same at zero frequency.

For anisotropic we are gettting three values for the tensor at zeroth frquency. Should we average like
1/3(epsilon xx+epsilon yy+epsilon zz) or is there any other formula???

Thanks in advance

Title: Re: optical spectrum-reg
Post by: Anders Blom on April 17, 2015, 12:42

If averaging or not makes sense depends on the purpose.