The ADC() family of correlated excited state methods is a series of
size-extensive excited state methods based on perturbation theory. Each order
of ADC presents the excited state equivalent to the well-known th order
Møller-Plesset perturbation theory for the ground state. Currently, the ADC
variants ADC(0), ADC(1), ADC(2)-s, ADC(2)-x and ADC(3) are implemented in
Q-Chem.
1303
Mol. Phys.
(2014),
112,
pp. 774.
Link
,
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J. Chem. Phys.
(2014),
141,
pp. 064113.
Link
The resolution-of-the-identity
approximation can be used with any ADC variant. Additionally, there are
spin-opposite scaling versions of both ADC(2) variants
available.
628
J. Chem. Phys.
(2013),
138,
pp. 044107.
Link
,
1303
Mol. Phys.
(2014),
112,
pp. 774.
Link
Core-excited states for the
simulation of X-ray absorption spectra can be computed exploiting the
core-valence separation (CVS) approximation. Currently, the CVS-ADC(1),
CVS-ADC(2)-s, CVS-ADC(2)-x and CVS-ADC(3) methods are
available.
1303
Mol. Phys.
(2014),
112,
pp. 774.
Link
,
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J. Comput. Chem.
(2014),
35,
pp. 1900.
Link
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(2014),
10,
pp. 4583.
Link
,
1265
J. Chem. Phys.
(2015),
142,
pp. 214104.
Link
Ionized and electron-attached states can be computed using the non-Dyson IP-
and EA-ADC methods. Currently, the IP-ADC(2), IP-ADC(3), EA-ADC(2) and EA-ADC(3) methods are
implemented.
275
J. Chem. Phys.
(2019),
150,
pp. 064108.
Link
,
273
J. Chem. Phys.
(2020),
152,
pp. 024113.
Link
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274
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(2020),
152,
pp. 024125.
Link
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272
J. Chem. Phys.
(2021),
154,
pp. 104117.
Link