Born M, Oppenheimer J R. Ann. Phys., (Leipzig), 1927,84: 457-484
[2]
Hirst D M. Potential Energy Surfaces, London and Philadelphia: Taylor & Francis, 1985
[3]
Baer M. Adv. Chem. Phys., 2002, 124: 39-142
[4]
Shukla M K, Leszczynski J(Eds.) Radition Induced Molecular Phenomena in Nucleic Acids, Springer, 2008
[5]
Michl J. Top. Curr. Chem., 1974, 46: 1-59
[6]
Yarkony D R, Rev. Mod. Phys., 1996, 68: 985-1013
[7]
Bernardi F, Robb M A, Olivucci M. Chem. Soc. Rev., 1996, 25: 321-328
[8]
Stenholm S. in Quantum Dynamics of Simple Systems (Eds.) Oppo G-L, Barnett S M, Riis E & Wilkinson M). Amsterdam: SUSSP, 1996. 267-313
[9]
Kuppermann A. Adv. Chem. Phys., 2002, 124: 283-322
[10]
Worth G A, Cederbaum L S. Ann. Rev. Phys. Chem., 2004, 55: 127-158
[11]
Levine B G, Martínez T J. Annu. Rev. Phys. Chem., 2007, 58: 613-634
[12]
Martínez T J. Acc. Chem. Res., 2006, 39: 119-126
[13]
Ben-Nun M, Martínez T J. Adv. Chem. Phys., 2002, 121: 439-512
[14]
Mead C. A. Rev. Mod. Phys., 1992, 64: 51-85
[15]
Bixon M, Jortner J. J. Chem. Phys., 1969, 50: 4061-4070
[16]
Niu Y, Peng Q, Deng C, Gao X, Shuai Z. J. Phys. Chem. A, 2010, 114: 7817-7831
[17]
Wang H, Thoss M, Miller W H. J.Chem.Phys., 2001,115: 2979
[18]
Meyer H D, Gatti F, Worth G A. (Eds). Multidimensional Quantum Dynamics: MCTDH Theory and Applications, Wiley-VCH, 2009
[19]
Fiedler S L, Eloranta J. Mol. Phys., 2010, 108: 1471-1479
[20]
Tully J C. Int. J. Quantum Chem., 1991, 40: 299-309
[21]
Hillery M, O'Connell R F, Scully M O, Wigner E P. Phys. Rep., 1984, 106: 121-167
[22]
Lee H W. Phys. Rep., 1995, 259: 147-211
[23]
Verlet L. Phys. Rev., 1967, 159: 98-103
[24]
Zhu C, Jasper A W, Truhlar D G. J. Chem. Phys., 2004, 120: 5543-5557
[25]
Schwartz B J, Bittner E R, Prezhdo O V, Rossky P J. J. Chem. Phys., 1996, 104: 5942-5955
[26]
Bedard-Hearn M J, Larsen R E, Schwartz B J. J. Chem. Phys., 2005, 123: art. no. 234106
[27]
Bjerre A., Nikitin E E. Chem. Phys. Lett., 1967, 1: 179-181
[28]
Tully J C. J. Chem. Phys., 1990, 93: 1061-1071
[29]
Webster F, Rossky P J, Friesner R A. Comp. Phys. Commun., 1991, 63: 494-522
[30]
Chapman S. Adv. Chem. Phys., 1992, 82: 423-483
[31]
Doltsinis N L, Marx D. Phys. Rev. Lett., 2002, 88: art. no. 166402
[32]
Barbatti M. WIREs Comp. Mol. Sci., 2011, 1: 620-633
[33]
Barbatti M, Granucci G, Persico M, Lischka H. Chem. Phys. Lett., 2005, 401: 276-281
[34]
Barbatti M, Lischka H. J. Am. Chem. Soc., 2008, 130: 6831-6839.
[35]
Mitri Dc' R, Petersen J, Bona i Dc' -Kouteck Dy' V. Nonadiabatic Dynamics “on the fly” in Complex Systems and its Control by Laser Fields, in Conical Intersections Ⅱ (Eds.) by K？ppel H, Domcke W, Yarkony D R). Singapore: World Scientific, 2011
[36]
Toniolo A, Granucci G, Inglese S, Persico . Phys. Chem. Chem. Phys., 2001, 3: 4266-4279
[37]
Fabiano E, Keal T W, Thiel W. Chem. Phys., 2008, 349: 334-347
[38]
Lan Z, Lu Y, Fabiano E, Thiel W. ChemPhysChem, 2011, 12: 1989-1998
[39]
Lu Y, Lan Z, Thiel W. Angewandte Chemie International Edition, 2011, 50: 6864-6867
[40]
Weingart O, Lan Z, Koslowski A, Thiel W. J. Phys. Chem. Lett., 2011, 2, 1506-1509
[41]
Kazaryan A, Lan Z, Sch？fer L, Thiel W and Filatov M. J. Chem. Theory Comput., 2011, 7: 2189-2199
[42]
Cui G, Lan Z, Thiel W. J. Am. Chem. Soc., 2012, 134: 1662-1672
[43]
Lan Z, Lu Y, Weingart O, Thiel W. J. Phys. Chem. A,doi: 10.1021/jp2117888
[44]
Herman M F.J. Chem. Phys., 1984, 81: 754-763
[45]
Coker D F, Xiao L. J. Chem. Phys., 1995, 102: 496-510
[46]
Jasper A W, Truhlar D G. Conical Intersections: Theory, Computation and Experiment (Eds. by Yarkony D R, Koeppel H, Domcke W.) Singapore: World Scientific, 2011
[47]
Tapavicza E, Tavernelli I, R？thlisberger U, Filippi C, Casida M E. J. Chem. Phys., 2008, 129: 124108
[48]
Granucci G, Persico M, Zoccante A. J. Chem. Phys., 2010, 133: art.no.134111
[49]
Ando K, Santer M. J. Chem. Phys., 2003, 118: 10399-10406
[50]
Hanna G, Kapral R. Acc. Chem. Res., 2006, 39: 21-27
[51]
Kapral R, Ciccotti G. J. Chem. Phys., 1999, 110: 8919-8929
[52]
Nielsen S, Kapral R. Ciccotti G. J. Chem. Phys., 2000, 112: 6543-6553
[53]
Horenko I, Weiser M, Schmidt B, Schütte C. J. Chem. Phys., 2004, 120: 8913-8923
[54]
Domcke W, Yarkony D R, K？ppel H. Eds Conical Intersections: Electronic Structure, Dynamcis & Spectroscopy, Singapore: World Scientific, 2004.
[55]
Baer M. Beyond Born-Oppenheimer, Hoboken, Wiley, 2006
[56]
Klessinger M, Michl J(Eds.) Excited States and Photochemistry of Organic Molecules, New York: VCH Publishers, 1995
[57]
Domcke W, Stock G. Adv. Chem. Phys., 1997, 100: 1-169
[58]
Leach A R. Molecular Modeling: Principles and Applications. 2nd Ed. England: Pearson Education Limited. 2001
[59]
Marx D, Hütter J. Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods. NY: Cambridge University Press, 2009
[60]
Stock G, Thoss M. Adv. Chem. Phys., 2005, 131: 243-375
[61]
Hunter G. Int. J. Quantum Chem., 1975, 9: 237-242
[62]
Mead C A, Truhlar D G. J. Chem. Phys., 1982, 77: 6090-6098
[63]
Nitzan A, Jortner J. J. Chem. Phys., 1971, 55: 1355-1368
[64]
Engleman R, Jortner J. Mol. Phys., 1970, 18: 145-164
[65]
Bixon M, Jortner J. J. Chem. Phys., 1968, 48: 715-726
[66]
Meyer H D, Manthe U, Cederbaum L S. Chem.Phys.Lett., 1990, 165: 73-78
[67]
Wang H, Thoss M. J.Chem.Phys. 2003, 119: 1289
[68]
Berry M V. Proc. R. Soc. London A, 1984, 392: 45-57
[69]
Shapere A, Wilczek F.(Eds.) Geometric Phases in Physics. Singapore: World Scientific, 1989
[70]
Longuet-Higgins H C, Proc. R. Soc. London A, 1975, 392: 147-156
[71]
Drukker K. J. Comp. Phys., 1999, 153: 225-272
[72]
Meyer H D, Miller W H. J. Chem. Phys., 1979, 70: 3214-3223
[73]
Andrade X, Castro A, Zueco D, Alonso J L, Echenique P, Falceto F, Rubio A. J. Chem. Theory Comput., 2009, 5: 728-742
[74]
Tully J C. Faraday Discuss., 1998, 110: 407-419
[75]
Curtright T L, Zachos C K. arXiv: 1104.5269v1
[76]
May V, Kühn, O. Charge and Energy Transfer Dynamics in Molecular systems. Berlin: Willey-VCH, 2000
[77]
Weiss U. Quantum Dissipative Systems. London: World Scientific, 1993
[78]
Jasper A W, Nangia S, Zhu C, Truhlar D G. Acc. Chem. Res., 2006, 39: 101-108
[79]
Zhu C, Jasper A W, Truhlar D G. J. Chem. Theor. Comput., 2005, 1: 527-540
[80]
Blais N C, Truhlar D G. J. Chem. Phys., 1983, 79: 1334-1342
[81]
Hammes-Schiffer S, Tully J C. J. Chem. Phys., 1994, 101: 4657-4667
[82]
Dotsinis N L. Quantum Simulations of Complex Many-Body Systems (eds. Grotendorst J, Marx D & Muramatsu A). Jülich: NIC, 2002. 377-397
[83]
Doltsinis N L, Marx D. J. Theo. Comp. Chem., 2002, 1: 319-349
[84]
Barbatti M, Shepard R, Lischka H. Computational and Methodological Elements for Nonadiabatic trajectory Dynamics Simulations of Molecules, in Conical Intersections: Theory, Computation and Experiment. (Eds by Domcke W, Yarkony D R, Koppel H) Singapore: World Scientific, 2010
[85]
Barbatti M, Granucci G, Persico M, Ruckenbauer M, Vazdar M, Eckert-Maksi Dc' M, Lischka H. J. Photochem. Photobiol. A, 2007, 190: 228-240
[86]
Barbatti M, Aquino A. J. A, Szymczak J. J, Nachtigallová D, Hobza P, Lischka H. PNAS, 2010, 107: 21453-21458
[87]
Barbatti M. Ultrafast Molecular Dynamics in Excited States Using Mixed Quantum-Classical Approaches, Habilitation Thesis (University of Vienna, Vienna),(论文)2008
[88]
Mitri Dc' R, Werner U, Wohlgemuth M, Seifert G, Bona Dc' i Dc' -Kouteck Dy' V. J. Phys. Chem. A, 2009, 113: 12700-12705
[89]
Wohlgemuth M, Bona i Dc' -Kouteck Dy' V, Mitric R. J. Chem. Phys., 2011, 135: art. no. 054105
[90]
Werner U, Mitri Dc' R, Suzuki T, Bona Dc i Dc' -Kouteck Dy' V. Chem. Phys., 2008, 349: 319-324
[91]
Mitri Dc' R, Bona Dc i Dc' -Kouteck Dy' V, Pittner J, Lischka H. J. Chem. Phys., 2006, 125: art. no. 024303
[92]
Bona Dc i Dc' -Kouteck Dy' V, Mitri Dc' R. Chem. Rev., 2005, 105: 11-66
[93]
Granucci G, Persico M, Toniolo A. J. Chem. Phys., 2011, 114: 10608-10615
[94]
Cattaneo P, Persico M, J. Am. Chem. Soc., 2001, 123: 7638-7645
[95]
Granucci G, Persico M. Photochemistry in condensed phase, in Continuum Solvation Models in Chemical Physics: from Theory to Applications (Eds. by Cammi R, Mennucci B). Wiley, 2007
[96]
Fabiano E, Lan Z, Lu Y, Thiel W. Conical Intersections: Theory, Computation and Experiment (Eds. by Yarkony D R, Koeppel H, Domcke W.) Singapore: World Scientific, 2011
[97]
Lan Z, Fabiano E, Thiel W. J. Phys. Chem. B, 2009, 113: 3548-3555
[98]
Lan Z, Fabiano E, Thiel W. ChemPhysChem., 2009 10: 1225-1229
[99]
Pechukas P. Phys. Rev., 1969, 181: 174-185
[100]
Miller W H, George T. J. Chem. Phys., 1972, 56: 5637-5652
[101]
Tapavicza E, Tavernelli I, R？thlisberger U, Filippi C, Casida M E. Phys. Rev. Lett., 2007 98: art.no.023001-1
[102]
Jasper A W, Stechmann S N, Truhlar D G. J. Chem. Phys., 2002,116: 5424-5431
[103]
Granucci G, Persico M. J. Chem. Phys., 2007, 126: art.no.134114
[104]
Kube S, Lasser C, Weber M. J. Comp. Phys., 2009, 228: 1947-1962
[105]
Osborn T A, Kondratieva M F, Tabisz G C, McQuarrie B R. J Phys. A: Math. Gen., 1999, 32: 4149-4169
[106]
Polkovnikov A. Ann. Phys., 2010, 325: 1790-1852
[107]
Ando K. Chem. Phys. Lett., 2002, 360: 240-242
[108]
Sergi A, Kapral R. J. Chem. Phys., 2003, 118: 8566-8575
[109]
Horenko I, Salzmann C, Schmidt B, Schütte C. J. Chem. Phys., 2002, 117: 11075-11088
[110]
Martens, C C, Fang J. J. Chem. Phys., 1997, 106: 4918-4930
