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

N1 - Publisher Copyright:
© 2020 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim

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.

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U2 - 10.1002/anie.202007475

DO - 10.1002/anie.202007475

M3 - Comment/debate

C2 - 32691959

AN - SCOPUS:85088260256

SN - 1433-7851

VL - 59

SP - 12574

JO - Angewandte Chemie - International Edition

JF - Angewandte Chemie - International Edition

IS - 31

ER -