Collect. Czech. Chem. Commun. 2003, 68, 105-138
https://doi.org/10.1135/cccc20030105

Effective Hamiltonian and Intermediate Hamiltonian Formulations of the Fock-Space Coupled-Cluster Method

Leszek Meissner* and JarosłaW Gryniaków

Institute of Physics, Nicholas Copernicus University, PL-87-100 Toruń, Poland

References

1a. Coester F.: Nucl. Phys. 1958, 7, 421. <https://doi.org/10.1016/0029-5582(58)90280-3>
1b. Coester F., Kümmel H.: Nucl. Phys. 1960, 17, 477. <https://doi.org/10.1016/0029-5582(60)90140-1>
1c. Čižek J.: J. Chem. Phys. 1966, 45, 4256. <https://doi.org/10.1063/1.1727484>
1d. Paldus J., Čižek J., Shavitt I.: Phys. Rev. A: At., Mol., Opt. Phys. 1972, 5, 50. <https://doi.org/10.1103/PhysRevA.5.50>
2a. Bartlett R. J.: Annu. Rev. Phys. Chem. 1981, 32, 359. <https://doi.org/10.1146/annurev.pc.32.100181.002043>
2b. Bartlett R. J.: J. Phys. Chem. 1989, 93, 1697. <https://doi.org/10.1021/j100342a008>
2c. Paldus J. in: Methods in Computational Molecular Physics (S. Wilson and G. H. F. Diercksen, Eds). Plenum Press, New York 1992.
2d. Paldus J. in: Relativistic and Electron Correlation Effects in Molecules and Solids, NATO Advanced Study Institute, Series B: Physics (G. L. Malli, Ed.), Vol. 318. Plenum, New York 1992.
2e. Bartlett R. J. in: Modern Electronic Structure Theory (D. R. Yarkony, Ed.). World Scientific, Singapore 1995.
2f. Paldus J., Li X.: Adv. Chem. Phys. 1999, 110, 1. <https://doi.org/10.1002/9780470141694.ch1>
3a. Mukherjee D., Moitra R. K., Mukhopadhyay A.: Pramana 1975, 4, 247. <https://doi.org/10.1007/BF02848581>
3b. Mukherjee D., Moitra R. K., Mukhopadhyay A.: Mol. Phys. 1975, 30, 1861. <https://doi.org/10.1080/00268977500103351>
4a. Offerman R., Ey W., Kümmel H.: Nucl. Phys. A 1976, 273, 349. <https://doi.org/10.1016/0375-9474(76)90596-0>
4b. Offerman R.: Nucl. Phys. 1976, 273, 368. <https://doi.org/10.1016/0375-9474(76)90597-2>
4c. Ey W.: Nucl. Phys. 1978, 296, 189. <https://doi.org/10.1016/0375-9474(78)90068-4>
5. Lindgren I.: Int. J. Quantum Chem., Quantum Chem. Symp. 1978, 12, 33.
6. Lindgren I., Morrison J.: Atomic Many-Body Theory, Springer Series in Chemical Physics, Vol. 13. Springer, Berlin 1982.
7. Mukherjee D.: Pramana 1979, 12, 203. <https://doi.org/10.1007/BF02846388>
8. Lingren I., Mukherjee D.: Phys. Rep. 1987, 151, 93. <https://doi.org/10.1016/0370-1573(87)90073-1>
9. Kaldor U. in: Many-Body Methods in Computational Molecular Physics, Lecture Notes in Chemistry (U. Kaldor, Ed.), Vol. 52. Springer, Berlin 1989.
10. Stolarczyk L. Z., Monkhorst H. J.: Phys. Rev. A: At., Mol., Opt. Phys. 1985, 32, 725. <https://doi.org/10.1103/PhysRevA.32.725>
11. Jeziorski B., Paldus J.: J. Chem. Phys. 1989, 90, 2714. <https://doi.org/10.1063/1.455919>
12. Pal S., Rittby M., Bartlett R. J., Sinha D., Mukherjee D.: J. Chem. Phys. 1988, 88, 4357. <https://doi.org/10.1063/1.453795>
13. Hughes S. R.., Kaldor U.: Chem. Phys. Lett. 1992, 194, 99. <https://doi.org/10.1016/0009-2614(92)85749-Z>
14. Meissner L.: J. Chem. Phys. 1995, 103, 8014. <https://doi.org/10.1063/1.470168>
15. Jeziorski B., Monkhorst H. J.: Phys. Rev. A: At., Mol., Opt. Phys. 1981, 24, 1668. <https://doi.org/10.1103/PhysRevA.24.1668>
16. Meissner L., Jankowski K., Wasilewski J.: Int. J. Quantum Chem. 1988, 34, 535. <https://doi.org/10.1002/qua.560340607>
17. Paldus J., Pylypov L., Jeziorski B. in: Many-Body Methods in Quantum Chemistry, Lecture Notes in Chemistry (U. Kaldor, Ed.), Vol. 52. Springer, Berlin 1989.
18. Balkova A., Kucharski S. A., Meissner L., Bartlett R. J.: Theor. Chim. Acta 1991, 80, 335. <https://doi.org/10.1007/BF01117417>
19. Paldus J., Piecuch P., Jeziorski B., Pylypov L. in: Recent Progress in Many-Body Theories (T. L. Ainsworth, C. E. Cambell, D. E. Clements and E. Krotschek, Eds), Vol. 3. Plenum Press, New York 1992.
20a. Klein D. J.: J. Chem. Phys. 1974, 61, 789.
20b. Lindgren I.: J. Phys. B: At., Mol. Opt. Phys. 1974, 7, 2441. <https://doi.org/10.1088/0022-3700/7/18/010>
20c. Jørgensen F.: Mol. Phys. 1975, 29, 1137. <https://doi.org/10.1080/00268977500100971>
20d. Durand Ph.: Phys. Rev. A: At., Mol., Opt. Phys. 1983, 28, 3184. <https://doi.org/10.1103/PhysRevA.28.3184>
21. Meissner L., Nooijen M.: J. Chem. Phys. 1995, 102, 9604. <https://doi.org/10.1063/1.468777>
22. Schucan T. H., Weidenmuller H. A.: Ann. Phys. (N.Y.) 1973, 76, 483. <https://doi.org/10.1016/0003-4916(73)90044-4>
23. Malrieu J. P., Durand Ph., Dauday J. P.: J. Phys. A: Math. Gen. 1985, 18, 809. <https://doi.org/10.1088/0305-4470/18/5/014>
24. Mukherjee D.: Int. J. Quantum Chem., Quantum Chem. Symp. 1986, 20, 409. <https://doi.org/10.1002/qua.560300737>
25. Sinha D., Mukhopadhyay S., Chaudhuri R., Mukherjee D.: Chem. Phys. Lett. 1989, 154, 544. <https://doi.org/10.1016/0009-2614(89)87149-0>
26a. Malrieu J.-P., Daudey J.-P., Maynau D.: J. Chem. Phys. 1994, 101, 8909. <https://doi.org/10.1063/1.468083>
26b. Meller J., Malrieu J.-P., Caballol R.: J. Chem. Phys. 1996, 104, 4068. <https://doi.org/10.1063/1.471220>
26c. Heully J.-L., Malrieu J.-P., Nebot-Gil I., Sanchez-Marin J.: Chem. Phys. Lett. 1996, 256, 589. <https://doi.org/10.1016/0009-2614(96)00464-2>
27s. . Plenum, New York 1995.
27b. Mahaptra U. S., Datta B., Mukherjee D.: J. Chem. Phys. 1999, 110, 6171. <https://doi.org/10.1063/1.478523>
28a. Hubač I., Mašik J. in: Quantum Systems in Chemistry and Physics (R. McWeeny, J. Maruani, Y. Smeyers and S. Wilsom, Eds). Kluwer Academic, Dordrecht 1998.
28b. Pittner J., Nachtigall P., Čársky P., Mašik J., Hubač I.: J. Chem. Phys. 1999, 110, 10275. <https://doi.org/10.1063/1.478961>
28c. Hubač I., Pittner J., Čársky P.: J. Chem. Phys. 2000, 112, 8779. <https://doi.org/10.1063/1.481493>
29a. Landau A., Eliav E., Kaldor U.: Chem. Phys. Lett. 1999, 313, 399. <https://doi.org/10.1016/S0009-2614(99)01067-2>
29b. Landau A., Eliav E., Ishikawa Y., Kaldor U.: J. Chem. Phys. 2000, 113, 9905. <https://doi.org/10.1063/1.1323258>
29c. Landau A., Eliav E., Ishikawa Y., Kaldor U.: J. Chem. Phys. 2001, 115, 6862. <https://doi.org/10.1063/1.1405005>
30. Brandow B. H.: Rev. Mod. Phys. 1967, 39, 771. <https://doi.org/10.1103/RevModPhys.39.771>
31. Hose G., Kaldor U.: J. Phys. B: At., Mol. Opt. Phys. 1979, 12, 3827. <https://doi.org/10.1088/0022-3700/12/23/012>
32a. Lindgren I.: Phys. Scr. 1985, 32, 291. <https://doi.org/10.1088/0031-8949/32/4/009>
32b. Lindgren I.: Phys. Scr. 1985, 32, 661.
33. Haque M. A., Mukherjee D.: J. Chem. Phys. 1984, 80, 5058. <https://doi.org/10.1063/1.446574>
34. Woliński K., Sellers H. L., Pulay P.: Chem. Phys. Lett. 1987, 140, 225. <https://doi.org/10.1016/0009-2614(87)80448-7>
35. Anderson K., Malmqvist P. A., Roos B. O.: J. Chem. Phys. 1992, 96, 1218. <https://doi.org/10.1063/1.462209>
36. Banerjee A., Simons J.: Int. J. Quantum Chem. 1981, 19, 207. <https://doi.org/10.1002/qua.560190203>
37. Werner H.-J., Knowles P. J.: J. Chem. Phys. 1988, 89, 5803. <https://doi.org/10.1063/1.455556>
38. Oliphant N., Adamowicz L.: J. Chem. Phys. 1991, 95, 6645. <https://doi.org/10.1063/1.461534>
39. Piecuch P., Kucharski S. A., Bartlett R. J.: J. Chem. Phys. 1999, 110, 6103. <https://doi.org/10.1063/1.478517>
40. Stolarczyk L. Z.: Chem. Phys. Lett. 1994, 217, 1. <https://doi.org/10.1016/0009-2614(93)E1333-C>
41a. Paldus J., Planelles J.: Theor. Chim. Acta 1994, 89, 13. <https://doi.org/10.1007/BF01167279>
41b. Planelles J., Paldus J., Li X.: Theor. Chim. Acta 1994, 89, 33. <https://doi.org/10.1007/BF01167280>
42a. Li X., Paldus J.: J. Chem. Phys. 1997, 107, 6257. <https://doi.org/10.1063/1.474289>
42b. Li X., Paldus J.: J. Chem. Phys. 1998, 108, 637. <https://doi.org/10.1063/1.475425>
42c. Li X., Paldus J.: Chem. Phys. Lett. 1998, 286, 145. <https://doi.org/10.1016/S0009-2614(97)01132-9>
42d. Li X., Paldus J.: J. Chem. Phys. 2000, 113, 9966. <https://doi.org/10.1063/1.1323260>
42e. Li X., Paldus J.: J. Chem. Phys. 2002, 117, 1941. <https://doi.org/10.1063/1.1488597>
43a. Meissner L., Grabowski I.: Chem. Phys. Lett. 1998, 300, 53. <https://doi.org/10.1016/S0009-2614(98)01332-3>
43b. Meissner L., Nooijen M.: Chem. Phys. Lett. 2000, 316, 501. <https://doi.org/10.1016/S0009-2614(99)01209-9>
44. Kowalski K., Piecuch P.: J. Chem. Phys. 2000, 113, 18. <https://doi.org/10.1063/1.481769>
45. Meissner L., Bartlett R. J.: J. Chem. Phys. 2001, 115, 50. <https://doi.org/10.1063/1.1373434>
46. Meissner L., Balkova A., Bartlett R. J.: Chem. Phys. Lett. 1993, 212, 177. <https://doi.org/10.1016/0009-2614(93)87127-O>
47. Meissner L.: Chem. Phys. Lett. 1995, 225, 244.
48. Jankowski K., Malinowski P.: Int. J. Quantum Chem. 1996, 59, 239. <https://doi.org/10.1002/(SICI)1097-461X(1996)59:3<239::AID-QUA7>3.0.CO;2-Z>
49. Jankowski K., Malinowski P.: J. Phys. B: At., Mol. Opt. Phys. 1994, 27, 1287. <https://doi.org/10.1088/0953-4075/27/7/004>
50. Paldus J., Čižek J.: Adv. Quantum Chem. 1975, 9, 105. <https://doi.org/10.1016/S0065-3276(08)60040-4>
51. Salomonson S., Lindgren I., Mårtensson A.-M.: Phys. Scr. 1980, 21, 351. <https://doi.org/10.1088/0031-8949/21/3-4/018>
52. Kaldor U.: Phys. Rev. A: At., Mol., Opt. Phys. 1988, 38, 6013. <https://doi.org/10.1103/PhysRevA.38.6013>
53. Lindroth E., Mårtenson-Pendrill A.-M.: Phys. Rev. A: At., Mol., Opt. Phys. 1996, 53, 3151. <https://doi.org/10.1103/PhysRevA.53.3151>
54a. Mukherjee D.: Chem. Phys. Lett. 1986, 125, 1986.
54b. Mukherjee D.: Int. J. Quantum Chem., Quantum Chem. Symp. 1986, 20, 409. <https://doi.org/10.1002/qua.560300737>
55a. Meissner L., Kucharski S. A., Bartlett R. J.: J. Chem. Phys. 1989, 91, 6187. <https://doi.org/10.1063/1.457437>
55b. Meissner L., Bartlett R. J.: J. Chem. Phys. 1990, 92, 561. <https://doi.org/10.1063/1.458406>
56. Malinowski P., Jankowski K.: J. Phys. B: At., Mol. Opt. Phys. 1993, 26, 3035. <https://doi.org/10.1088/0953-4075/26/18/014>
57. Meissner L.: J. Chem. Phys. 1998, 108, 9227. <https://doi.org/10.1063/1.476377>
58. Meissner L., Malinowski P.: Phys. Rev. A: At., Mol., Opt. Phys. 2000, 61, 62510. <https://doi.org/10.1103/PhysRevA.61.062510>
59. Malinowski P., Meissner L., Nowaczyk A.: J. Chem. Phys. 2002, 116, 7362. <https://doi.org/10.1063/1.1464817>
60. Malinowski P., Jankowski K.: J. Phys. B: At., Mol. Opt. Phys. 1994, 27, 829.
61a. Nooijen M.: J. Chem. Phys. 1996, 104, 2638. <https://doi.org/10.1063/1.470988>
61b. Nooijen M., Bartlett R. J.: J. Chem. Phys. 1997, 106, 6441. <https://doi.org/10.1063/1.474000>
62. Nooijen M., Bartlett R. J.: J. Chem. Phys. 1997, 107, 6812. <https://doi.org/10.1063/1.474922>
63a. Emrich K.: Nucl. Phys. A 1981, 351, 397. <https://doi.org/10.1016/0375-9474(81)90180-9>
63b. Geertsen J., Rittby M., Bartlett R. J.: Chem. Phys. Lett. 1989, 164, 57. <https://doi.org/10.1016/0009-2614(89)85202-9>