首 页 >>  刘春根 [教授]
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南京大学化学化工学院
理论与计算化学研究所
江苏省南京市汉口路22#
邮编: 210093
电话: 025-83596756
传真: 025-83596131
Email: cgliu@nju.edu.cn
实验室: 化学楼228室

组内成员

张达崴 (博士后2011年10月-)
曲泽星 (博士后2012年09月-)
陆晓清 (11硕)

毕业或出站成员

刘   杨 (09硕士)
曲泽星 (09博)
张姝姝 (08博)
张达崴 (06博)
徐  栋 (05博)
马海波 (04博
)
高嶷 (99博)


刘春根博士主要从事大尺度共轭体系的多体半经验算法,以及可运用于准二维共轭体系的密度矩阵重整化群(DMRG)的新型计算方法的研究。

刘春根博士1987年毕业于苏州大学,获学士学位,1992年在华东理工大学获硕士学位, 1996年获南京大学物理化学博士学位。现为南京大学教授、博士生导师。

科研项目

国家自然科学基金面上项目(2012-2016) [项目负责人]

973子课题 [主要参与人]

大分子共轭体系(从分子到固体)的重整化群计算研究 [项目负责人]
国家自然科学基金面上项目(2003.1-2005.12)

共轭分子多体理论方法及光电磁性研究 [主要参与人]
国家自然科学基金项目(2001-2003)

近期代表论文

Title: A non-adiabatic dynamics study of octatetraene: The radiationless conversion from S2 to S1
Author(s): Qu Zexing; Chungen Liu*
Source: JOURNAL OF CHEMICAL PHYSICS Volume: 139 Issue: 24
Article Number: 244304 DOI: 10.1063/1.4853715 Published: DEC 26 2013
URL: http://link.aip.org/link/?JCP/139/244304&aemail=author

Title: Quantum Chemical Study of the Ground and Excited State Electronic Structures of Carbazole Oligomers with and without Triarylborane Substitutes
Author(s): Zhang Shushu; Qu Zexing; Tao Peng; Brooks, Bernard; Shao, Yihan; Chen, Xiaoyuan; Liu, Chungen*
Source: JOURNAL OF PHYSICAL CHEMISTRY C Volume: 116 Issue: 23 Pages: 12434-12442 DOI: 10.1021/jp3027447 Published: JUN 14 2012

Title: Electronic structures of low-lying B-u excited states in trans-oligoenes: Pariser-Parr-Pople and ab initio calculations
Author(s): Zhang Dawei; Liu Chungen*
Source: JOURNAL OF CHEMICAL PHYSICS Volume: 135 Issue: 13 Article Number: 134117 DOI: 10.1063/1.3643838 Published: OCT 7 2011

Title: Electronic structures of low-lying Bu excited states in trans-oligoenes: Pariser-Parr-Pople and ab initio calculations.
Author(s): Zhang Dawei; Liu Chungen*
Source: The Journal of chemical physics Volume: 135 Issue: 13 Pages: 134117 Published: 2011-Oct-7

Title: Communication: A dramatic transition from nonferromagnet to ferromagnet in finite fused-azulene chain
Author(s): Qu Zexing; Zhang Shushu; Liu Chungen; et al.
Source: JOURNAL OF CHEMICAL PHYSICS Volume: 134 Issue: 2 Article Number: 021101 DOI: 10.1063/1.3533363 Published: JAN 14 2011

Title: Excitation energy calculation of conjugated hydrocarbons: A new Pariser-Parr-Pople model parameterization approaching CASPT2 accuracy
Author(s): Zhang Dawei; Qu Zexing; Liu Chungen; et al.
Source: JOURNAL OF CHEMICAL PHYSICS Volume: 134 Issue: 2 Article Number: 024114 DOI: 10.1063/1.3526066 Published: JAN 14 2011

Title: Experimentation and Theoretic Calculation of a BODIPY Sensor Based on Photoinduced Electron Transfer for Ions Detection
Author(s): Lu Hua; Zhang ShuShu; Liu HanZhuang; et al.
Source: JOURNAL OF PHYSICAL CHEMISTRY A Volume: 113 Issue: 51 Pages: 14081-14086 DOI: 10.1021/jp907331q Published: DEC 24 2009
Times Cited: 16 (from All Databases)

Title: BLOCK DENSITY MATRIX RENORMALIZATION GROUP WITH EFFECTIVE INTERACTIONS
Author(s): Ma Haibo; Liu Chungen; Jiang Yuansheng
Source: JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY Volume: 8 Issue: 5 Pages: 837-848 DOI: 10.1142/S0219633609005064 Published: OCT 2009

Title: Open-Shell Ground State of Polyacenes: A Valence Bond Study
Author(s): Qu Zexing; Zhang Dawei; Liu Chungen; et al.
Source: JOURNAL OF PHYSICAL CHEMISTRY A Volume: 113 Issue: 27 Pages: 7909-7914 DOI: 10.1021/jp9015728 Published: JUL 9 2009
Times Cited: 25 (from All Databases)

Title: Theoretical study of very high spin organic pi-conjugated polyradicals
Author(s): Ma Haibo; Liu Chungen; Zhang Congjie; et al.
Source: JOURNAL OF PHYSICAL CHEMISTRY A Volume: 111 Issue: 38 Pages: 9471-9478 DOI: 10.1021/jp073300c Published: SEP 27 2007

Weifeng Hu, Haibo Ma, Chungen Liu,* and Yuansheng Jiang*
Static polarizability and second hyperpolarizability of closed- and open-shell \pi-conjugated polymers
J. Chem. Phys. 126, 044903 (2007).

Haibo Ma, Chungen Liu,* and Yuansheng Jiang*
Theoretical Investigation of Static Characterization on Nonlinear Elementary Excitations in trans-Polyacetylene
J. Phys. Chem. B 110, 26488-26496 (2006).

Haibo Ma, Chungen Liu,* and Yuansheng Jiang*
Theoretical study of the lowest \pi-\pi* excitation energies for neutral and doped polyenes
J. Chem. Phys. 123, 084303 (2005).

Haibo Ma, Fei Cai, Chungen Liu,* and Yuansheng Jiang*
Spin distribution in neutral polyene radicals: Pariser--Parr--Pople model studied with the density matrix renormalization group method
J. Chem. Phys. 122, 104909 (2005).

Fei Cai, Heqing Shao, Chungen Liu,* and Yuansheng Jiang
An Alternative Strategy for Count and Storage of Kekulé and Longer Range Resonance Valence Bond Structures
J. Chem. Inf. Model; 2005; 45(2); 371-378.

Haibo Ma, Chungen Liu, Yuansheng Jiang
"Triplet-excited region" in polyene oligomers revisited: Pariser-Parr-Pople model studied with the density matrix renormalization group method
J. Chem. Phys. 2004, 120(19), 9316-9320.

Yi Gao, Chungen Liu, Yuansheng Jiang
Photochemical Properties of Carotenoids: What can We Get from the VB Model?
Sci. China Ser. B 2003, 46(1), 7.

Yi Gao, Chungen Liu, Yuansheng Jiang
The Electronic Structure of Thiophene Oligomer Dications: An Alternative Interpretation from the Spin-unrestricted DFT Study.
J. Phys. Chem. A 2002, 106(21), 5380.

Yi Gao, Chungen Liu, Yuansheng Jiang
The Valence Bond Study for Benzenoid Hydrocarbons of Medium to Infinite Sizes.
J. Phys. Chem. A 2002, 106(11), 2592. 

 
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