Erratum pubs.acs.org/JCTC
Erratum: “The Variationally Orbital-Adapted Configuration Interaction Singles (VOA-CIS) Approach to Electronically Excited States” Xinle Liu and Joseph E. Subotnik* Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104, United States
J. Chem. Theory Comput. 2014, 10 (3), 1004−1020; DOI: dx.doi.org/10.1021/ct4009377
E
quation 16 should be:
4(D , A , B , C) ≡ D·(ABT C + CBT A)
The third equation in eq 17 of our paper should read: ̃
̃
⟨Ψ IJK |H |Ψ I ′ J ′ K ′⟩ =
∑ θbjIJ̃ θaiI′̃ J′⟨ΨK |a†j abHaa†ai|ΨK′⟩ abij ̃
̃
= + (t K ·t K ′)(θ IJ ·θ I ′ J ′)E HF ̃
̃
+ (t K ·θ I ′ J ′)(θ IJ ·t K ′)E HF ̃
̃
− 4(θ IJ , θ I ′ J ′ , t K , t K ′)E HF ̃
̃
+ (t K ·-(t K ′))(θ IJ ·θ I ′ J ′) ̃
̃
+ (t K ·t K ′)(θ IJ ·-(θ I ′ J ′)) ̃
̃
+ (t K ·θ I ′ J ′)(θ IJ ·-(t K ′)) ̃
̃
+ (θ I ′ J ′·-(t K ))(θ IJ ·t K ′) ̃
̃
− 4(θ IJ , θ I ′ J ′ , t K , -(t K ′)) ̃
̃
− 4(θ IJ , t K ′ , t K , -(θ I ′ J ′)) ̃
̃
− 4(θ IJ , θ I ′ J ′ , 3 υυoo(t K ), t K ′) ̃
̃
− 4(t K , t K ′ , 3 υυoo(θ IJ ), θ I ′ J ′) ̃
̃
+ θ IJ ·(2υυ(t K ′ , t K )θ I ′ J ′) ̃
̃
− θ IJ ·(θ I ′ J ′2oo(t K ′ , t K )) ̃
̃
+ θ IJ ·(2υυ(θ I ′ J ′ , t K )t K ′) ̃
̃
− θ IJ ·(t K ′2oo(θ I ′ J ′ , t K ))
Received: March 5, 2014 Published: March 20, 2014 © 2014 American Chemical Society
1835
dx.doi.org/10.1021/ct500190r | J. Chem. Theory Comput. 2014, 10, 1835−1835
