QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: wot19920302 on April 18, 2019, 04:16

Title: Is transmission eigenstate normalized?
Post by: wot19920302 on April 18, 2019, 04:16

Dear Quantumwise staffs:
        I wanna know whether all transmission eigenstates calculated with certain energy E and kpoint k have been normalized?

Title: Re: Is transmission eigenstate normalized?
Post by: wot19920302 on April 21, 2019, 15:16

can anyone help me?

Title: Re: Is transmission eigenstate normalized?
Post by: Anders Blom on April 26, 2019, 20:29

Do you mean the eigenstate or the eigenvalues, actually? Well, both are normalized, so eigenvalues range from 0 to 1, and the eigenstates should integrate to 1 over space.

Title: Re: Is transmission eigenstate normalized?
Post by: wot19920302 on April 27, 2019, 10:14

Thanks for your help. If transmission egenstate is normalzied, I have then have another question. As seen in Figure1 in the attachment, one transmission eigenstate looks delocalized and the other one looks localized around left electrode and central molecule. If delocalzied states can integrate to 1 over space, why the localzied one can intergrate to 1, either?  (two states with the same isovalue) :o

Title: Re: Is transmission eigenstate normalized?
Post by: Anders Blom on April 29, 2019, 18:19

The isovalue plot doesn't tell you anything about the integral of the whole function over all space...