From 571375c4154845506e2a2493c5d74370b60cee42 Mon Sep 17 00:00:00 2001 From: Ruocheng Han <ruocheng.han@chem.uzh.ch> Date: Fri, 21 May 2021 13:58:39 +0000 Subject: [PATCH] Update README.md --- README.md | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/README.md b/README.md index 7a3abbe..42fcbba 100644 --- a/README.md +++ b/README.md @@ -50,7 +50,7 @@ $ psi4 -n 8 -i input.dat -o output.dat # you can find reference MP2, MP3, and MP ``` -#### Results: contribution for each atom (Atomic Contribution) +#### Results: correlation enrgy contribution of each atom (Atomic Contribution) ```bash PT2: C: -0.0713488682277866 @@ -90,7 +90,7 @@ qd.sphere.lebedev_031() -> qd.sphere.lebedev_011() # Others same with ch4_200_031 ``` -#### Results: contribution for each atom (Atomic Contribution) +#### Results: correlation enrgy contribution of each atom (Atomic Contribution) ```bash PT2: C: -0.0731792208782222 -- GitLab