TY - JOUR
T1 - Corrigendum
T2 - Orbitals and the Interpretation of Photoelectron Spectroscopy and (e,2e) Ionization Experiments (Angewandte Chemie International Edition, (2019), 58, 36, (12332-12338), 10.1002/anie.201904609)
AU - Truhlar, Donald G.
AU - Hiberty, Philippe C.
AU - Shaik, Sason
AU - Gordon, Mark S.
AU - Danovich, David
PY - 2020/7/27
Y1 - 2020/7/27
N2 - In this Communication on page 12336, the third sentence in Chapter 3, “Because this function has the same dimension and functional dependence as an orbital, it is often called a ‘Dyson orbital’ and is expressed as the generalized overlap[13,39,40] displayed in Equation (2)”, should be replaced by “Because this function has the same dimension and functional dependence as an orbital, it can be approximated (by the same assumptions as used to get Koopmans’ theorem) by a properly normalized ‘Dyson orbital’, which can be expressed as the generalized overlap[13,39,40] displayed in Equation (2)”. This correction does not change any other discussion or any of the conclusions in this manuscript, including the main conclusion that a correct theoretical treatment of experiments involving an ejected electron does not depend on what orbitals are used to describe the initial state. The authors are grateful to Vincent Ortiz, Ernest Davidson, and Joseph Murdoch for helpful correspondence.
AB - In this Communication on page 12336, the third sentence in Chapter 3, “Because this function has the same dimension and functional dependence as an orbital, it is often called a ‘Dyson orbital’ and is expressed as the generalized overlap[13,39,40] displayed in Equation (2)”, should be replaced by “Because this function has the same dimension and functional dependence as an orbital, it can be approximated (by the same assumptions as used to get Koopmans’ theorem) by a properly normalized ‘Dyson orbital’, which can be expressed as the generalized overlap[13,39,40] displayed in Equation (2)”. This correction does not change any other discussion or any of the conclusions in this manuscript, including the main conclusion that a correct theoretical treatment of experiments involving an ejected electron does not depend on what orbitals are used to describe the initial state. The authors are grateful to Vincent Ortiz, Ernest Davidson, and Joseph Murdoch for helpful correspondence.
UR - http://www.scopus.com/inward/record.url?scp=85088260256&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=85088260256&partnerID=8YFLogxK
U2 - 10.1002/anie.202007475
DO - 10.1002/anie.202007475
M3 - Comment/debate
C2 - 32691959
AN - SCOPUS:85088260256
VL - 59
SP - 12574
JO - Angewandte Chemie - International Edition
JF - Angewandte Chemie - International Edition
SN - 1433-7851
IS - 31
ER -