QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: yolanda7 on March 28, 2011, 17:26

Title: What is "on-site energy"
Post by: yolanda7 on March 28, 2011, 17:26

I wonder what is "on site energy" and the corresponding uasge.



Thank you!

Title: Re: What is "on-site energy"
Post by: kstokbro on March 29, 2011, 00:50

The hamiltonian has matrix elements H_ii , these are called onsite terms.

The offsite terms H_ij are matrix elements with neighbor orbitals

Title: Re: What is "on-site energy"
Post by: yolanda7 on March 29, 2011, 01:34

Quote from: kstokbro on March 29, 2011, 00:50

The hamiltonian has matrix elements H_ii , these are called onsite terms.

The offsite terms H_ij are matrix elements with neighbor orbitals

Thank you