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Manuscript/EPAWTFT.bib

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+@article{Surjan_1998,
+	author = {Surj{\'a}n, P{\'e}ter R. and K{\'a}llay, Mih{\'a}ly and Szabados, {\'A}gnes},
+	date-added = {2020-12-14 09:49:56 +0100},
+	date-modified = {2020-12-14 09:50:03 +0100},
+	doi = {https://doi.org/10.1002/(SICI)1097-461X(1998)70:4/5<571::AID-QUA3>3.0.CO;2-S},
+	journal = {Int. J. Quantum Chem.},
+	number = {4‐5},
+	pages = {571-581},
+	title = {Nonconventional partitioning of the many-body Hamiltonian for studying correlation effects},
+	volume = {70},
+	year = {1998},
+	Bdsk-Url-1 = {https://doi.org/10.1002/(SICI)1097-461X(1998)70:4/5%3C571::AID-QUA3%3E3.0.CO;2-S}}
+
+@article{Surjan_2002,
+	abstract = {Abstract With the aid of L{\"o}wdin's partitioning theory, an infinite series for the eigenvalue of the Schr{\"o}dinger equation is derived which does not contain energy differences in denominators. The resulting formulae are compared to those of constant denominator methods, such as perturbation theory within the Uns{\o}ld approximation and the connected moment expansion (CMX). The Uns{\o}ld formulae are easily obtained from partitioning theory by a suitable choice of the zero order Hamiltonian. Optimizing the value of the energy denominator using the first order wave function in a size-consistent way, the third order Uns{\o}ld correction vanishes, and the corresponding energy correction formula of the CMX is recovered at the second order. {\copyright} 2002 Wiley Periodicals, Inc. Int J Quantum Chem, 2002},
+	author = {Surj{\'a}n, P{\'e}ter R. and Szabados, {\'A}gnes},
+	date-added = {2020-12-14 09:48:02 +0100},
+	date-modified = {2020-12-14 09:48:14 +0100},
+	doi = {https://doi.org/10.1002/qua.935},
+	journal = {Int. J. Quantum Chem.},
+	number = {1},
+	pages = {20-26},
+	title = {Constant denominator perturbative schemes and the partitioning technique},
+	volume = {90},
+	year = {2002},
+	Bdsk-Url-1 = {https://onlinelibrary.wiley.com/doi/abs/10.1002/qua.935},
+	Bdsk-Url-2 = {https://doi.org/10.1002/qua.935}}
+
+@article{Szabados_2003,
+	abstract = {Abstract In computing ionization potentials via perturbative solution of the equation of motion for the ionization operator, we apply the technique of ``partitioning optimization'' elaborated recently for the calculation of correlation energy. Sample calculations indicate that second-order results may improve if the partitioning is optimized. {\copyright} 2003 Wiley Periodicals, Inc. Int J Quantum Chem, 2003},
+	author = {Szabados, {\'A}gnes and Surj{\'a}n, P{\'e}ter R.},
+	date-added = {2020-12-14 09:47:13 +0100},
+	date-modified = {2020-12-14 09:47:27 +0100},
+	doi = {https://doi.org/10.1002/qua.10502},
+	journal = {Int. J. Quantum Chem.},
+	number = {2},
+	pages = {160-167},
+	title = {Optimized partitioning in PT: Application for the equation of motion describing ionization processes},
+	volume = {92},
+	year = {2003},
+	Bdsk-Url-1 = {https://onlinelibrary.wiley.com/doi/abs/10.1002/qua.10502},
+	Bdsk-Url-2 = {https://doi.org/10.1002/qua.10502}}
+
+@article{Szabados_1999,
+	abstract = {Finite-order perturbation corrections are ambiguous since they depend on the partitioning of the Hamiltonian to a zero-order part and perturbation, and any chosen partitioning can be freely modified, e.g. by level shift projectors. To optimize low-order corrections, an approximate variational procedure is proposed to determine level shift parameters from the first-order Ansatz for the wavefunction. The resulting new partitioning scheme provides significantly better second-order results than those obtained by standard partitions like Epstein--Nesbet or M{\o}ller--Plesset. We treat the anharmonic oscillator and the atomic electron correlation energy in He, Be and Ne as numerical test cases.},
+	author = {A. Szabados and P.R Surjan},
+	date-added = {2020-12-14 09:46:14 +0100},
+	date-modified = {2020-12-14 09:46:34 +0100},
+	doi = {https://doi.org/10.1016/S0009-2614(99)00647-8},
+	journal = {Chem. Phys. Lett.},
+	number = {3},
+	pages = {303 - 309},
+	title = {Optimized partitioning in Rayleigh--Schr{\"o}dinger perturbation theory},
+	volume = {308},
+	year = {1999},
+	Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/S0009261499006478},
+	Bdsk-Url-2 = {https://doi.org/10.1016/S0009-2614(99)00647-8}}
+
+@article{Malrieu_2003,
+	author = {Jean-Paul Malrieu and Celestino Angeli},
+	date-added = {2020-12-14 09:43:50 +0100},
+	date-modified = {2020-12-14 09:44:08 +0100},
+	doi = {10.1080/00268976.2013.788745},
+	journal = {Mol. Phys.},
+	number = {9-11},
+	pages = {1092-1099},
+	title = {The M{\o}ller--Plesset perturbation revisited: origin of high-order divergences},
+	volume = {111},
+	year = {2013},
+	Bdsk-Url-1 = {https://doi.org/10.1080/00268976.2013.788745}}
+
+@article{Adams_1990,
+	abstract = {Abstract We review the nature of the problem in the framework of Rayleigh--Schr{\"o}dinger perturbation theory (the polarization approximation) considering explicitly two examples: the interaction of two hydrogen atoms and the interaction of Li with H. We show, in agreement with the work of Claverie and of Morgan and Simon, that the LiH problem is dramatically different from the H2 problem. In particular, the physical states of LiH are higher in energy than an infinite number of discrete, unphysical states and they are buried in a continuum of unbound, unphysical states, which starts well below the lowest physical state. Claverie has shown that the perturbation expansion, under these circumstances, is likely to converge to an unphysical state of lower energy than the physical ground state, if it converges at all. We review, also, the application of two classes of exchange perturbation theory to LiH and larger systems. We show that the spectra of three Eisenschitz--London (EL) class, exchange perturbation theories have no continuum of unphysical states overlaying the physical states and no discrete, unphysical states below the lowest physical state. In contrast, the spectra of two Hirschfelder--Silbey class theories differ hardly at all from that found with the polarization approximation. Not one of the EL class of perturbation theories, however, eliminates all of the discrete unphysical states. The best one establishes a one-to-one correspondence between the lowest energy states of the unperturbed and perturbed Hamiltonians, and a one-to-two correspondence for the higher states. We suggest that the EL class perturbation theories would be good starting points for the development of more effective perturbation theories for intermolecular interactions.},
+	author = {Adams, William H.},
+	date-added = {2020-12-14 09:42:36 +0100},
+	date-modified = {2020-12-14 09:42:48 +0100},
+	doi = {https://doi.org/10.1002/qua.560382452},
+	journal = {International Journal of Quantum Chemistry},
+	number = {S24},
+	pages = {531-547},
+	title = {Perturbation theory of intermolecular interactions: What is the problem, are there solutions?},
+	volume = {38},
+	year = {1990},
+	Bdsk-Url-1 = {https://onlinelibrary.wiley.com/doi/abs/10.1002/qua.560382452},
+	Bdsk-Url-2 = {https://doi.org/10.1002/qua.560382452}}
+
+@book{KatoBook,
+	address = {Berlin},
+	author = {T. Kato},
+	date-added = {2020-12-14 09:41:48 +0100},
+	date-modified = {2020-12-14 09:41:53 +0100},
+	publisher = {Springer},
+	title = {Perturbation Theory for Linear Operators},
+	year = 1966}
+
+@inbook{Surjan_2004,
+	address = {Dordrecht},
+	author = {Surj{\'a}n, P{\'e}ter R. and Szabados, {\'A}gnes},
+	booktitle = {Fundamental World of Quantum Chemistry: A Tribute to the Memory of Per-Olov L{\"o}wdin Volume III},
+	date-added = {2020-12-14 09:38:04 +0100},
+	date-modified = {2020-12-14 09:38:08 +0100},
+	doi = {10.1007/978-94-017-0448-9_8},
+	editor = {Br{\"a}ndas, Erkki J. and Kryachko, Eugene S.},
+	pages = {129--185},
+	publisher = {Springer Netherlands},
+	title = {Appendix to ``Studies in Perturbation Theory'': The Problem of Partitioning},
+	year = {2004},
+	Bdsk-Url-1 = {https://doi.org/10.1007/978-94-017-0448-9_8}}
+
 @article{Daas_2020,
 	author = {Daas,Timothy J. and Grossi,Juri and Vuckovic,Stefan and Musslimani,Ziad H. and Kooi,Derk P. and Seidl,Michael and Giesbertz,Klaas J. H. and Gori-Giorgi,Paola},
 	date-added = {2020-12-05 21:58:26 +0100},
@@ -2510,14 +2619,14 @@
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.9b00289}}
 
 @article{Burton_2019b,
-    author = {Burton, Hugh G. A. and Thom, Alex J. W.},
-    doi = {10.1021/acs.jctc.9b00441},
-    journal = {J. Chem. Theory Comput.},
-    volume = {15},
-    pages = {4851},
-    title = {General Approach for Multireference Ground and Excited States Using Nonorthogonal Configuration Interaction},
-    year = {2019},
-}
+	author = {Burton, Hugh G. A. and Thom, Alex J. W.},
+	doi = {10.1021/acs.jctc.9b00441},
+	journal = {J. Chem. Theory Comput.},
+	pages = {4851},
+	title = {General Approach for Multireference Ground and Excited States Using Nonorthogonal Configuration Interaction},
+	volume = {15},
+	year = {2019},
+	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.9b00441}}
 
 @article{Hiscock_2014,
 	author = {Hiscock, Hamish G. and Thom, Alex J. W.},