1. ``Electronic
Structures and Optical Properties of Open and Capped Carbon Nanotubes”,
WanZhen Liang, Xiujun Wang,
Satoshi Yokojima and GuanHua Chen,
J. Am. Chem. Soc., (2000)
accepted.
2. ``Lattice and spin polarons in two
dimensions”,
Yang Zhao and GuanHua Chen,
J. Chem. Phys., (2000)
accepted.
3. ``Reduced density matrix and combined
dynamics of electrons and nuclei”,
Yang Zhao, Satoshi Yokojima
and GuanHua Chen,
J. Chem. Phys., (2000)
in press.
4. ``Theoretical investigation on the
effects of conjugation attenuation of poly(p-phenylenevinylene) incorpotating
2,2’-bipyridines”,
Man-Fai Ng, Satoshi Yokojima,
DongHao Zhou and GuanHua Chen,
Chem. Phys. Lett., (2000)
in press.
5. ``Localized-density-matrix method
and nonlinear optical response”,
WanZhen Liang, Satoshi
Yokojima and GuanHua Chen,
J. Chem. Phys., (2000)
in press.
6. ``Localized-Density-Matrix Method
and its Application to Nanomaterials”,
GuanHua Chen, Satoshi Yokojima,
WanZhen Liang and XiuJun Wang,
Pure Appl. Chemsitry 72,
281 (2000).
7. ``Localized-Density-Matrix Method,
and its Application to Carbon Nanotubes”,
WanZhen Liang, Satoshi
Yokojima, DongHao Zhou and GuanHua Chen,
J. Phys. Chem. A 104, 2445
(2000).
8. “Optical excitations in PPV Aggregates”,
Satoshi Yokojima, XiuJun
Wang and GuanHua Chen,
Thin Solid Films 363, 191
(2000).
9. “Localized-Density-Matrix, Segment-Molecular-Orbitals
and PPV Aggregates”,
Satoshi Yokojima, XiuJun
Wang, DongHao Zhou and GuanHua Chen,
J. Chem. Phys. 111, 10444
(1999).
10. “Ground state reduced density matrices,
effective Hamiltonians, and optical properties of Schiff bases of retinal”,
ZhongMin Su, WanZhen Liang
and GuanHua Chen,
Chem. Phys. 247, 185 (1999).
11. ``Linear-scaling calculation of
excited-state properties of polyacetylene”,
Satoshi Yokojima and GuanHua
Chen,
Phys. Rev. B 59, 7259-7262
(1999).
12. ``Linear-scaling computation of
ground state with time-domain localized-density-matrix method”,
Satoshi Yokojima, DongHao
Zhou, and GuanHua Chen,
Chem. Phys. Lett. 302,
495-498 (1999).
13. ``Linear-Scaling Loaclized-Density-Matrix
Method for the Ground and Excited States of One-Dimensional Molecular Systems”
Satoshi Yokojima and GuanHua
Chen,
Chem. Phys. Lett. 300,
540-544 (1999).
14. ``Generalized Linear-Scaling Loaclized-Density-Matrix
Method”,
WanZhen Liang, Satoshi
Yokojima, and GuanHua Chen,
J. Chem. Phys. 110, 1844-1855
(1999).
15. ``Time domain localized-density-matrix
method”,
Satoshi Yokojima and GuanHua
Chen,
Chem. Phys. Lett. 292,
379-383 (1998).
16. ``Effective Hamiltonians of polymethineimine, polyazine and polyazoethene: A density matrix variation approach'',
GuanHua Chen, ZhongMin
Su, ZhenWen Shen and YiJing Yan,
J. Chem. Phys. 109, 2565-2571
(1998).
17. ``Multi-dimensional entropy sampling
Monte Carlo method and free energy landscape of Ar13”,
GuanHua Chen and Guan-Wen
Wu,
Chem. Phys. Lett. 281,
343-351 (1997).
18. ``Linear and Nonlinear Optical Response of Di-methyl-amino-nitro-stilbene (DANS) Coupled Electronic Oscillator Representation versus Sum-Over-States'',
David Beljonne, Jean-Luc
Bredas, Guanhua Chen and Shaul Mukamel,
Chem. Phys.210, 353-366
(1996).
19. ``Effective Hamiltonian for conjugated
polyenes based on the ground state single-electron density matrix'',
Guanhua Chen and Shaul
Mukamel,
Chem. Phys. Lett. 258,
589 (1996).
20. ``Nonlinear Polarizabilities of
Donor-Acceptor Substituted Conjugated Polyenes'',
Guanhua Chen and Shaul
Mukamel,
J. Phys. Chem. 100, 11080
(1996).
21. ``The Coupled Electronic Oscillators
versus the Sum-Over-States Picture for the Optical Response of Octatetraene'',
Guanhua Chen, Shaul Mukamel,
David Beljonne and Jean-Luc Bredas,
J. Chem. Phys. 104, 5406
(1996).
22. ``Reduced Density Matrix, Effective
Hamiltonian and Nonlinear Susceptibilities of Conjugated Polymers'',
Guanhua Chen and Shaul
Mukamel,
J. Chem. Phys. 103, 9355
(1995).
23. ``Dominant Electronic Oscillators
in the Optical of Conjugated Polyenes'',
Guanhua Chen and Shaul
Mukamel,
Chem. Phys. Lett. 240,
296 (1995).
24. ``Nonlinear Susceptibilities of
Donor-Acceptor Conjugated Systems: Coupled-Oscillator Representation'',
Guanhua Chen and Shaul
Mukamel,
J. Am. Chem. Soc. 117,
4945 (1995).
25. ``Electronic Coherence and Nonlinear Susceptibilities of Conjugated Polyenes'',
Shaul Mukamel, Akira Takahashi, Hong Xiang Wang and Guanhua Chen,
Science 266, 251 (1994).
26. ``Chemical Bonding and Off-Resonance
Nonlinear Polarizabilities of Conjugated Organic Molecules'',
Guanhua Chen, Akira Takahashi
and Shaul Mukamel,
Proc. SPIE 2143, 142 (1994).
27. ``Valence-Bond Charge-Transfer Theory
for Predicting Nonlinear-Optical Properties of Organic Materials'',
William A. Goddard III,
Daqi Lu, Guanhua Chen and Joe W. Perry,
ACS Symp. S. 589, 341 (1995).
28. ``The Valence-Bond Charge Transfer
Model for Nonlinear Optical Properties of Charge Transfer Organic Molecules'',
Daqi Lu, Guanhua Chen,
Joseph W. Perry and William A. Goddard III,
J. Am. Chem. Soc. 116,
10679 (1994).
29. ``The Valence-Bond Charge Transfer
Solvation Model (VB-CT-S) Nonlinear Optical Properties of Organic Molecules
in Polar Solvents'',
Guanhua Chen, Daqi Lu and
William A. Goddard III,
J. Chem. Phys. 101, 5860
(1994).
30. ``The Valence Bond Charge Transfer
Exciton Model for Predicting Nonlinear Optical Properties of Polymeric
Materials'',
Daqi Lu, Guanhua Chen and
William A. Goddard III,
J. Chem. Phys. 101, 4920
(1994).
31. ``Resonant Tunneling through Quantum-Dot
Arrays'',
Guanlong Chen, Gerhard
Klimeck, Supriyo Datta, Guanhua Chen and William A. Goddard III,
Phys. Rev. B 50, 8035 (1994).
32. ``Electron-Phonon Interaction and
Superconductivity in K3C60'',
Guanhua Chen, Yuejin Guo,
Naoki Karasawa and William A. Goddard III,
Phys. Rev. B 48, 13959
(1993).
33. ``Mechanism of Superconductivity
in K3C60'',
Guanhua Chen and William
A. Goddard III,
Proc. Nati. Acad. Sci.
USA 90, 1350 (1993).
34. ``Elementary Excitations for Two-Dimensional
Quantum Heisenberg Antiferromagnet'',
Guanhua Chen, Hong-Qiang
Ding and William A. Goddard III,
Phys. Rev. B 46, 2933 (1992).
35. ``The Quantum Chemistry View of
High-T Superconductors'',
Y. Guo, G. Chen, H. Q.
Ding, J.-M. Langlois, and W. A. Goddard III,
Proceedings of the Thirty-Ninth
Scottish Universities Summer School in Physics, St. Andrews, June 1991.
A NATO Advanced Study Institute,
edited by D. P. Tunstall, W. Barford (Adam Hilger, Bristol, 1991).
36. ``Magnon-Exchange Pairing and Superconductivity'',
Guanhua Chen, Jean-Marc
Langlois, Yuejin Guo and William A. Goddard III,
Science 243, 547 (1989).
37. ``Superconducting Properties of
Copper Oxide High-Temperature Superconductor'',
Guanhua Chen, Jean-Marc
Langlois, Yuejin Guo and William A. Goddard III,
Proc. Nati. Acad. Sci.
USA 86, 3447 (1989).
38. ``The Magnon Pairing Mechanism of
Superconductivity in Cuprate Ceramics'',
Guanhua Chen and William
A. Goddard III,
Science 239, 899 (1988)
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