Questions tagged [random-phase-approximation]

Topics concerning the random-phase approximations (RPA)

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RPA calculations with Hybrid Functionals [closed]

When doing RPA calculations as explained here, if I want to calculate it with hybrid PBE0 should I put LHFCALC = .TRUE. for just step 1 or step 1, step 3 and step 4?...
Tauschen Okay's user avatar
6 votes
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DFT+U for RPA Ground State

For RPA calculations in VASP, a four step process can be utilized where the first step is to compute the occupied orbitals at either the GGA or hybrid GGA level. I am curious with materials that are ...
Tristan Maxson's user avatar
7 votes
1 answer

What are the advantages/disadvantages of QMC over ACFDT-RPA?

I had some experience with the ACFDT-RPA, but despite its promising features it's not practical most of the time, and for that reason, I'm looking for a new method for reference calculations. QMC is ...
Alfred's user avatar
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7 votes
1 answer

What are the methods for calculating interaction energies of layered materials, and where are they implemented?

What are the available methods for the calculation of reference interaction energies of layered materials and in which codes they are implemented? For example, I know RPA-ACFDT in the DFT concept. But ...
Alfred's user avatar
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16 votes
1 answer

What are typical RPA capabilities of plane-wave codes?

Plenty of standard plane-wave codes are able to compute correlation energies on top of DFT solutions using the random-phase approximation (RPA). I was wondering what the typical capabilities are in ...
Michael F. Herbst's user avatar