Multiwfn forum

saeed_E

Member

Registered: 2019-12-21

Posts: 292

A reference needs for the advantages of B2PLYP over MP2

Dear Tian,
I need a published work (as reference) in which advantages of double-hybrid DFT-functionals such as B2PLYP over the MP2 method are evidently described. Please let me know if you are aware of such reference.

Sincerely,
Saeed

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,954

Website

Re: A reference needs for the advantages of B2PLYP over MP2

Dear Saeed,

See Section 3.4 of Phys.Chem.Chem.Phys., 2018, 20, 23175 and the references therein.

Best,

Tian

saeed_E

Member

Registered: 2019-12-21

Posts: 292

Re: A reference needs for the advantages of B2PLYP over MP2

Dear Tian,
Too many thanks for introducing me such a nice reference.

Sincerely,
Saeed