QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: NW on December 19, 2019, 18:05

Title: Projection on n quantum number
Post by: NW on December 19, 2019, 18:05

Hello,

As I read on the following link, we can use Projection on l and m quantum numbers.
Is it possible to use projection function for n quantum number too (e.g. n_quantum_numbers=[5])?

https://docs.quantumatk.com/manual/Types/Projection/Projection.html

Thanks,

Title: Re: Projection on n quantum number
Post by: Petr Khomyakov on January 2, 2020, 15:48

Please explain what is the meaning of this kind of projection.

Title: Re: Projection on n quantum number
Post by: Anders Blom on January 8, 2020, 08:40

First of all, the main quantum number is quite confusing when we deal with pseudopotentials. But more importantly, n is just an enumeration quantum number, whereas what you typically want to achieve with projections is to study symmetries and similar, which is related to the (l,m) quantum numbers.