We have noted typographical errors in Table V of the published article.1 Specifically, the values of the angles φHχH for the XH2 species in both the (3B1) and (1A1) states were incorrectly reported as half of the correct values. The values of the same angles for the XH3 and XH4 species were reported correctly. The table with the corrected values is below.
Bond distances RXH (Å) and angles φHχH (degrees) of the calculated states of XHn (X = C, Si, Ge, Sn; n = 1–4) at the RCCSD(T) level of theory.
| . | . | . | CHn . | . | SiHn . | GeHn . | SnHn . |
|---|---|---|---|---|---|---|---|
| . | . | AVDZ . | AVTZ . | AVQZ . | AVQZ . | AVQZ . | AVQZ . |
| XH(χ2Π) | RXH | 1.1400 | 1.1219 | 1.1203 | 1.5242 | 1.6028 | 1.7901 |
| XH(A4Σ−) | RXH | 1.1066 | 1.0908 | 1.0894 | 1.4969 | 1.5694 | 1.7550 |
| XH(α2Δ) | RXH | 1.1229 | 1.1069 | 1.1056 | |||
| XH2(3B1) | RXH | 1.0943 | 1.0791 | 1.0775 | 1.4815 | 1.5449 | 1.7281 |
| φHχH | 133.06 | 133.56 | 133.61 | 118.38 | 119.41 | 118.61 | |
| XH2(1A1) | RXH | 1.1271 | 1.1107 | 1.1088 | 1.5184 | 1.5963 | 1.7841 |
| φHχH | 101.14 | 101.88 | 102.01 | 92.28 | 91.65 | 91.20 | |
| XH3(X2A1) | RXH | 1.0932 | 1.0795 | 1.0780 | 1.4810 | 1.5443 | 1.7289 |
| φHχH | 120.00 | 120.00 | 120.00 | 107.59 | 107.68 | 109.21 | |
| XH4(X1A1) | RXH | 1.1027 | 1.0899 | 1.0883 | 1.4803 | 1.5414 | 1.7289 |
| φHχH | 109.47 | 109.47 | 109.47 | 109.49 | 109.47 | 109.21 |
| . | . | . | CHn . | . | SiHn . | GeHn . | SnHn . |
|---|---|---|---|---|---|---|---|
| . | . | AVDZ . | AVTZ . | AVQZ . | AVQZ . | AVQZ . | AVQZ . |
| XH(χ2Π) | RXH | 1.1400 | 1.1219 | 1.1203 | 1.5242 | 1.6028 | 1.7901 |
| XH(A4Σ−) | RXH | 1.1066 | 1.0908 | 1.0894 | 1.4969 | 1.5694 | 1.7550 |
| XH(α2Δ) | RXH | 1.1229 | 1.1069 | 1.1056 | |||
| XH2(3B1) | RXH | 1.0943 | 1.0791 | 1.0775 | 1.4815 | 1.5449 | 1.7281 |
| φHχH | 133.06 | 133.56 | 133.61 | 118.38 | 119.41 | 118.61 | |
| XH2(1A1) | RXH | 1.1271 | 1.1107 | 1.1088 | 1.5184 | 1.5963 | 1.7841 |
| φHχH | 101.14 | 101.88 | 102.01 | 92.28 | 91.65 | 91.20 | |
| XH3(X2A1) | RXH | 1.0932 | 1.0795 | 1.0780 | 1.4810 | 1.5443 | 1.7289 |
| φHχH | 120.00 | 120.00 | 120.00 | 107.59 | 107.68 | 109.21 | |
| XH4(X1A1) | RXH | 1.1027 | 1.0899 | 1.0883 | 1.4803 | 1.5414 | 1.7289 |
| φHχH | 109.47 | 109.47 | 109.47 | 109.49 | 109.47 | 109.21 |
ACKNOWLEDGMENTS
S.S.X. was supported from the Center for Scalable Predictive methods for Excitations and Correlated phenomena (SPEC), which is funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Chemical Sciences, Geosciences and Biosciences Division as part of the Computational Chemical Sciences (CCS) program under FWP 70942 at Pacific Northwest National Laboratory (PNNL), a multiprogram national laboratory operated for DOE by Battelle. This research also used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231.
