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19. Boguslawski K, Tecmer P, Ayers PW, Bultinck P, de Baerdemacker S, van Neck D (2014a) Efficient description of strongly correlated electrons with mean-field cost. Phys Rev B 89:201106
20. Boguslawski K, Tecmer P, Limacher PA, Johnson PA, Ayers PW, Bultinck P, de Baerdemacker
S, van Neck D (2014b) Nonvariational orbital optimization techniques for the AP1roG wave
function. J Chem Theory Comput 10:4873–4882
21. Boguslawski K, Tecmer P, Limacher PA, Johnson PA, Ayers PW, Bultinck P, de Baerdemacker
S, van Neck D (2014c) Projected seniority-two orbital optimization of the antisymmetric
product of one-reference orbital geminal. J Chem Phys 140:214114
22. Boguslawski K, Réal F, Tecmer P, Duperrouzel C, Gomes ASP, Legeza Ö, Ayers PW, Vallet V (2017) On the multi-reference nature of plutonium oxides: PuO
2+
2 , PuO 2 , PuO 3 , and
PuO 2 (OH) 2 . Phys Chem Chem Phys 19:4317–4329
23. Breit G (1929) The effect of retardation on the interaction of two electrons. Phys Rev 34:553–
573
24. Bytautas L, Henderson TM, Jiménez-Hoyos CA, Ellis JK, Scuseria GE (2011) Seniority and
orbital symmetry as tools for establishing a full configuration interaction hierarchy. J Chem
Phys 135:044119
25. Chan GKL, Sharma S (2011) The density matrix renormalization group in quantum chemistry.
Annu Rev Phys Chem 62:465–481
26. Chang C, Pelissier M, Durand P (1986) Regular two-component Pauli-like effective hamiltonians in Dirac theory. Phys Scr 34:394–404
27. Chatterjee K, Pastorczak E, Jawulski K, Pernal K (2016) A minimalistic approach to static
and dynamic electron correlations: amending generalized valence bond method with extended
random phase approximation correlation correction. J Chem Phys 113:2960–2963
28. Choppin GR, Rao LF (1984) Complexation of pentavalent and hexavalent actinides by fluoride. Radiochim Acta 37:143–146
29. Cohen AJ, Mori-Sánchez P, Yang W (2012) Challenges for density functional theory. Chem
Rev 112:289–320
30. Coleman AJ (1965) Structure of fermion density matrices. II. Antisymmetrized geminal powers. J Math Phys 6:1425–1431
31. Cremer D (2001) Density functional theory: coverage of dynamic and non-dynamic electron
correlation effects. Mol Phys 99:1899–1940
32. de Jong WA, Visscher L, Nieuwpoort WC (1999) On the bonding and the electric field gradient
of the uranyl ion. J Mol Struct (Theochem) 458:41–52
33. Denning RG (1992) Electronic structure and bonding in actinyl ions, vol 79. Springer, Berlin,
Heidelberg, pp 313–336
34. Denning RG (2007) Electronic structure and bonding in actinyl ions and their analogs. J Phys
Chem A 111:4125–4143
35. Dirac PAM (1928) The quantum theory of the electron. Proc Roy Soc Lond A 117:610–624
36. Diwu J, Wang S, Albrecht-Schmitt TE (2012) Periodic trends in hexanuclear actinide clusters.
Inorg Chem 51:4088–4093
37. Dolg M, Cao X (2012) Relativistic pseudopotentials: their development and scope of applications. Chem Rev 112:403–480
38. Douglas N, Kroll NM (1974) Quantum electrodynamical corrections to fine-structure of
helium. Ann Phys 82:89–155
39. Duperrouzel C, Tecmer P, Boguslawski K, Barcza G, Legeza Ö, Ayers PW (2015) A quantum
informational approach for dissecting chemical reactions. Chem Phys Lett 621:160–164
40. Foldy LL, Wouthuysen SA (1950) On the Dirac theory of spin 1/2 particles and its nonrelativistic limit. Phys Rev 78:29–36
41. Forbes TZ, Burns PC, Soderholm L, Skanthakumar S (2006) Crystal structures and magnetic
properties of NaK 3 (NpO 2 ) 4 (SO 4 ) 4 (H 2 O) 2 and NaNpO 2 SO 4 H 2 O: cation-cation interactions
in a neptunyl sulfate framework. Chem Mater 18:1643–1649
42. Fortier S, Hayton TW (2010) Oxo ligand functionalization in the uranyl ion (UO
2+
2 ). Coord
Chem Rev 254:197
A. Łachma´ nska et al.
19. Boguslawski K, Tecmer P, Ayers PW, Bultinck P, de Baerdemacker S, van Neck D (2014a) Efficient description of strongly correlated electrons with mean-field cost. Phys Rev B 89:201106
20. Boguslawski K, Tecmer P, Limacher PA, Johnson PA, Ayers PW, Bultinck P, de Baerdemacker
S, van Neck D (2014b) Nonvariational orbital optimization techniques for the AP1roG wave
function. J Chem Theory Comput 10:4873–4882
21. Boguslawski K, Tecmer P, Limacher PA, Johnson PA, Ayers PW, Bultinck P, de Baerdemacker
S, van Neck D (2014c) Projected seniority-two orbital optimization of the antisymmetric
product of one-reference orbital geminal. J Chem Phys 140:214114
22. Boguslawski K, Réal F, Tecmer P, Duperrouzel C, Gomes ASP, Legeza Ö, Ayers PW, Vallet V (2017) On the multi-reference nature of plutonium oxides: PuO
2+
2 , PuO 2 , PuO 3 , and
PuO 2 (OH) 2 . Phys Chem Chem Phys 19:4317–4329
23. Breit G (1929) The effect of retardation on the interaction of two electrons. Phys Rev 34:553–
573
24. Bytautas L, Henderson TM, Jiménez-Hoyos CA, Ellis JK, Scuseria GE (2011) Seniority and
orbital symmetry as tools for establishing a full configuration interaction hierarchy. J Chem
Phys 135:044119
25. Chan GKL, Sharma S (2011) The density matrix renormalization group in quantum chemistry.
Annu Rev Phys Chem 62:465–481
26. Chang C, Pelissier M, Durand P (1986) Regular two-component Pauli-like effective hamiltonians in Dirac theory. Phys Scr 34:394–404
27. Chatterjee K, Pastorczak E, Jawulski K, Pernal K (2016) A minimalistic approach to static
and dynamic electron correlations: amending generalized valence bond method with extended
random phase approximation correlation correction. J Chem Phys 113:2960–2963
28. Choppin GR, Rao LF (1984) Complexation of pentavalent and hexavalent actinides by fluoride. Radiochim Acta 37:143–146
29. Cohen AJ, Mori-Sánchez P, Yang W (2012) Challenges for density functional theory. Chem
Rev 112:289–320
30. Coleman AJ (1965) Structure of fermion density matrices. II. Antisymmetrized geminal powers. J Math Phys 6:1425–1431
31. Cremer D (2001) Density functional theory: coverage of dynamic and non-dynamic electron
correlation effects. Mol Phys 99:1899–1940
32. de Jong WA, Visscher L, Nieuwpoort WC (1999) On the bonding and the electric field gradient
of the uranyl ion. J Mol Struct (Theochem) 458:41–52
33. Denning RG (1992) Electronic structure and bonding in actinyl ions, vol 79. Springer, Berlin,
Heidelberg, pp 313–336
34. Denning RG (2007) Electronic structure and bonding in actinyl ions and their analogs. J Phys
Chem A 111:4125–4143
35. Dirac PAM (1928) The quantum theory of the electron. Proc Roy Soc Lond A 117:610–624
36. Diwu J, Wang S, Albrecht-Schmitt TE (2012) Periodic trends in hexanuclear actinide clusters.
Inorg Chem 51:4088–4093
37. Dolg M, Cao X (2012) Relativistic pseudopotentials: their development and scope of applications. Chem Rev 112:403–480
38. Douglas N, Kroll NM (1974) Quantum electrodynamical corrections to fine-structure of
helium. Ann Phys 82:89–155
39. Duperrouzel C, Tecmer P, Boguslawski K, Barcza G, Legeza Ö, Ayers PW (2015) A quantum
informational approach for dissecting chemical reactions. Chem Phys Lett 621:160–164
40. Foldy LL, Wouthuysen SA (1950) On the Dirac theory of spin 1/2 particles and its nonrelativistic limit. Phys Rev 78:29–36
41. Forbes TZ, Burns PC, Soderholm L, Skanthakumar S (2006) Crystal structures and magnetic
properties of NaK 3 (NpO 2 ) 4 (SO 4 ) 4 (H 2 O) 2 and NaNpO 2 SO 4 H 2 O: cation-cation interactions
in a neptunyl sulfate framework. Chem Mater 18:1643–1649
42. Fortier S, Hayton TW (2010) Oxo ligand functionalization in the uranyl ion (UO
2+
2 ). Coord
Chem Rev 254:197