Theor Chem Acc (2015) 134:151
1 3
IZO–SGIker UPV/EHU is gratefully acknowledged for generous allocation of computational resources.
Open Access This article is distributed under the terms of the
Creative Commons Attribution 4.0 International License ( http://creativecommons.org/licenses/by/4.0/ ), which permits unrestricted use,
distribution, and reproduction in any medium, provided you give
appropriate credit to the original author(s) and the source, provide a
link to the Creative Commons license, and indicate if changes were
made.
References
1. Piris M (2013) Int J Quantum Chem 113:620–630
2. Piris M, Ugalde JM (2014) Int J Quantum Chem 114:1169–1175
3. Piris M (2006) Int J Quantum Chem 106:1093–1104
4. Piris M, Lopez X, Ruipérez F, Matxain JM, Ugalde JM (2011) J
Chem Phys 134:164102
5. Piris M, Matxain JM, Lopez X (2013) J Chem Phys
139(23):234109
6. Matxain JM, Piris M, Ruipérez F, Lopez X, Ugalde JM (2011)
Phys Chem Chem Phys 13:20129–20135
7. Matxain JM, Piris M, Mercero JM, Lopez X, Ugalde JM (2012)
Chem Phys Lett 531:272–274
8. Matxain JM, Piris M, Uranga J, Lopez X, Merino G, Ugalde JM
(2012) ChemPhysChem 13:2297–2303
9. Piris M, Matxain JM, Lopez X, Ugalde JM (2012) J Chem Phys
136:174116
10. Lopez X, Ruipérez F, Piris M, Matxain JM, Matito E, Ugalde JM
(2012) J Chem Theory Comput 8:2646–2652
11. Piris M, Matxain JM, Lopez X, Ugalde JM (2013) Theor Chem
Acc 132:1298
12. Ruipérez F, Piris M, Ugalde JM, Matxain JM (2013) Phys Chem
Chem Phys 15:2055–2062
13. Matxain JM, Ruipérez F, Infante I, Lopez X, Ugalde JM, Merino
G, Piris M (2013) J Chem Phys 138:151102
14. Piris M (1003) Comput Theor Chem 2013:123–126
15. Lopez X, Piris M, Nakano M, Champagne B (2014) J Phys B
Atomic Mol Opt Phys 47:015101
16. Piris M, March NH (2014) Phys Chem Liq 52:804–814
17. Ramos-Cordoba E, Salvador P, Piris M, Matito E (2014) J Chem
Phys 141:234101
18. Piris M, March NH (2015) Phys Chem Liq. doi: 10.1080/003191
04.2015.1029478
19. Ludeña EV, Torres FJ, Costa C (2013) J Mod Phys 04:391–400
20. Pernal K (1003) Comput Theor Chem 2013:127–129
21. Piris M (2013) J Chem Phys 139:064111
22. Fock FA (1950) Dokl Akad Nauk USSR 73:735
23. Hurley AC, Lennard-Jones J, Pople JA (1953) Proc R Soc Lond
A 220:446–455
24. Heitler W, London F (1927) Z Phys 44:455
25. Shaik S, Hiberty PC (2008) A chemist’s guide to valence bond
theory. Wiley, London
26. Surjan PR (1999) Topics in current chemistry, vol 203. Springer,
Berlin
27. Jeszenszki P, Nagy PR, Zoboki T, Szabados A, Surjan PR (2014)
Int J Quantum Chem 114:1048–1052
28. Coleman AJ (1963) Rev Mod Phys 35:668–687
29. Rassolov VA (2002) J Chem Phys 117:5978
30. Rassolov VA, Xu F (2007) J Chem Phys 127:044104
31. Piris M (2007) In: Mazziotti DA (ed) Reduced-density-matrix
mechanics: with applications to many-electron atoms and molecules. Wiley, Hoboken, pp 387–427 chapter 14
32. Piris M, Ugalde JM (2009) J Comput Chem 30:2078–2086
33. Suárez E, Díaz N, Suárez D (2009) J Chem Theory Comput
1667–1679
34. Piris M (1999) J Math Chem 25:47–54
35. Piris M (2014) J Chem Phys 141:044107
36. Zhao Y, Truhlar DG (2008) Theor Chem Acc 120:215–241
37. Gaussian 09, Revision D.01, Frisch MJ, Trucks GW, Schlegel
HB, Scuseria GE, Robb MA, Cheeseman JR, Scalmani G, Barone V, Mennucci B, Petersson GA, Nakatsuji H, Caricato M,
Li X, Hratchian HP, Izmaylov AF, Bloino J, Zheng G, Sonnenberg JL, Hada M, Ehara M, Toyota K, Fukuda R, Hasegawa J,
Ishida M, Nakajima T, Honda Y, Kitao O, Nakai H, Vreven T,
Montgomery Jr JA, Peralta JE, Ogliaro F, Bearpark M, Heyd JJ,
Brothers E, Kudin KN, Staroverov VN, Kobayashi R, Normand
J, Raghavachari K, Rendell A, Burant JC, Iyengar SS, Tomasi
J, Cossi M, Rega N, Millam JM, Klene M, Knox JE, Cross JB,
Bakken V, Adamo C, Jaramillo J, Gomperts R, Stratmann RE,
Yazyev O, Austin AJ, Cammi R, Pomelli C, Ochterski JW, Martin RL, Morokuma K, Zakrzewski VG, Voth GA, Salvador P,
Dannenberg JJ, Dapprich S, Daniels AD, Farkas Ö, Foresman
JB, Ortiz JV, Cioslowski J, Fox DJ, Gaussian, Inc., Wallingford
CT, 2009
38. Hehre WJ, Ditchfi eld R, Pople JA (1972) J Chem Phys
56:2257–2261
39. Dunning TH, Dunning TH Jr (1989) J Chem Phys 90:1007–1023
40. Schmidt MW, Baldridge KK, Boatz JA, Elbert ST, Gordon
MS, Jensen JH, Koseki S, Matsunaga N, Nguyen KA, Shyjun SU, Dupuis M, Montgomery JA (1993) J Comput Chem
14:1347–1363
41. Gordon MS, Schmidt MW (2005) Theory and applications of
computational chemistry. Elsevier, Philadelphia
187
Reprinted from the journal
1 3
IZO–SGIker UPV/EHU is gratefully acknowledged for generous allocation of computational resources.
Open Access This article is distributed under the terms of the
Creative Commons Attribution 4.0 International License ( http://creativecommons.org/licenses/by/4.0/ ), which permits unrestricted use,
distribution, and reproduction in any medium, provided you give
appropriate credit to the original author(s) and the source, provide a
link to the Creative Commons license, and indicate if changes were
made.
References
1. Piris M (2013) Int J Quantum Chem 113:620–630
2. Piris M, Ugalde JM (2014) Int J Quantum Chem 114:1169–1175
3. Piris M (2006) Int J Quantum Chem 106:1093–1104
4. Piris M, Lopez X, Ruipérez F, Matxain JM, Ugalde JM (2011) J
Chem Phys 134:164102
5. Piris M, Matxain JM, Lopez X (2013) J Chem Phys
139(23):234109
6. Matxain JM, Piris M, Ruipérez F, Lopez X, Ugalde JM (2011)
Phys Chem Chem Phys 13:20129–20135
7. Matxain JM, Piris M, Mercero JM, Lopez X, Ugalde JM (2012)
Chem Phys Lett 531:272–274
8. Matxain JM, Piris M, Uranga J, Lopez X, Merino G, Ugalde JM
(2012) ChemPhysChem 13:2297–2303
9. Piris M, Matxain JM, Lopez X, Ugalde JM (2012) J Chem Phys
136:174116
10. Lopez X, Ruipérez F, Piris M, Matxain JM, Matito E, Ugalde JM
(2012) J Chem Theory Comput 8:2646–2652
11. Piris M, Matxain JM, Lopez X, Ugalde JM (2013) Theor Chem
Acc 132:1298
12. Ruipérez F, Piris M, Ugalde JM, Matxain JM (2013) Phys Chem
Chem Phys 15:2055–2062
13. Matxain JM, Ruipérez F, Infante I, Lopez X, Ugalde JM, Merino
G, Piris M (2013) J Chem Phys 138:151102
14. Piris M (1003) Comput Theor Chem 2013:123–126
15. Lopez X, Piris M, Nakano M, Champagne B (2014) J Phys B
Atomic Mol Opt Phys 47:015101
16. Piris M, March NH (2014) Phys Chem Liq 52:804–814
17. Ramos-Cordoba E, Salvador P, Piris M, Matito E (2014) J Chem
Phys 141:234101
18. Piris M, March NH (2015) Phys Chem Liq. doi: 10.1080/003191
04.2015.1029478
19. Ludeña EV, Torres FJ, Costa C (2013) J Mod Phys 04:391–400
20. Pernal K (1003) Comput Theor Chem 2013:127–129
21. Piris M (2013) J Chem Phys 139:064111
22. Fock FA (1950) Dokl Akad Nauk USSR 73:735
23. Hurley AC, Lennard-Jones J, Pople JA (1953) Proc R Soc Lond
A 220:446–455
24. Heitler W, London F (1927) Z Phys 44:455
25. Shaik S, Hiberty PC (2008) A chemist’s guide to valence bond
theory. Wiley, London
26. Surjan PR (1999) Topics in current chemistry, vol 203. Springer,
Berlin
27. Jeszenszki P, Nagy PR, Zoboki T, Szabados A, Surjan PR (2014)
Int J Quantum Chem 114:1048–1052
28. Coleman AJ (1963) Rev Mod Phys 35:668–687
29. Rassolov VA (2002) J Chem Phys 117:5978
30. Rassolov VA, Xu F (2007) J Chem Phys 127:044104
31. Piris M (2007) In: Mazziotti DA (ed) Reduced-density-matrix
mechanics: with applications to many-electron atoms and molecules. Wiley, Hoboken, pp 387–427 chapter 14
32. Piris M, Ugalde JM (2009) J Comput Chem 30:2078–2086
33. Suárez E, Díaz N, Suárez D (2009) J Chem Theory Comput
1667–1679
34. Piris M (1999) J Math Chem 25:47–54
35. Piris M (2014) J Chem Phys 141:044107
36. Zhao Y, Truhlar DG (2008) Theor Chem Acc 120:215–241
37. Gaussian 09, Revision D.01, Frisch MJ, Trucks GW, Schlegel
HB, Scuseria GE, Robb MA, Cheeseman JR, Scalmani G, Barone V, Mennucci B, Petersson GA, Nakatsuji H, Caricato M,
Li X, Hratchian HP, Izmaylov AF, Bloino J, Zheng G, Sonnenberg JL, Hada M, Ehara M, Toyota K, Fukuda R, Hasegawa J,
Ishida M, Nakajima T, Honda Y, Kitao O, Nakai H, Vreven T,
Montgomery Jr JA, Peralta JE, Ogliaro F, Bearpark M, Heyd JJ,
Brothers E, Kudin KN, Staroverov VN, Kobayashi R, Normand
J, Raghavachari K, Rendell A, Burant JC, Iyengar SS, Tomasi
J, Cossi M, Rega N, Millam JM, Klene M, Knox JE, Cross JB,
Bakken V, Adamo C, Jaramillo J, Gomperts R, Stratmann RE,
Yazyev O, Austin AJ, Cammi R, Pomelli C, Ochterski JW, Martin RL, Morokuma K, Zakrzewski VG, Voth GA, Salvador P,
Dannenberg JJ, Dapprich S, Daniels AD, Farkas Ö, Foresman
JB, Ortiz JV, Cioslowski J, Fox DJ, Gaussian, Inc., Wallingford
CT, 2009
38. Hehre WJ, Ditchfi eld R, Pople JA (1972) J Chem Phys
56:2257–2261
39. Dunning TH, Dunning TH Jr (1989) J Chem Phys 90:1007–1023
40. Schmidt MW, Baldridge KK, Boatz JA, Elbert ST, Gordon
MS, Jensen JH, Koseki S, Matsunaga N, Nguyen KA, Shyjun SU, Dupuis M, Montgomery JA (1993) J Comput Chem
14:1347–1363
41. Gordon MS, Schmidt MW (2005) Theory and applications of
computational chemistry. Elsevier, Philadelphia
187
Reprinted from the journal