Mapped Finite Element Discrete Variable Representation
文献类型：期刊论文
| 作者 | Yu, De-quan1,2,3; Cong, Shu-lin1; Zhang, Dong H.2,3; Sun, Zhi-gang2,3 |
| 刊名 | chinese journal of chemical physics
 |
| 出版日期 | 2013-12-01 |
| 卷号 | 26期号:6页码:755-764 |
| 关键词 | Discrete variable representation Mapped Fourier method Ultra-cold atomic photoassociation Schrodinger equation solver Singularity of Coulomb potential |
| 英文摘要 | efficient numerical solver for the schrodinger equation is very important in physics and chemistry. the finite element discrete variable representation (fe-dvr) was first proposed by rescigno and mc-curdy [phys. rev. a 62, 032706 (2000)] for solving quantum-mechanical scattering problems. in this work, an fe-dvr method in a mapped coordinate was proposed to improve the efficiency of the original fe-dvr method. for numerical demonstration, the proposed approach is applied for solving the electronic eigenfunctions and eigenvalues of the hydrogen atom and vibrational states of the electronic state (3)sigma(+)(g) of the cs-2 molecule which has long-range interaction potential. the numerical results indicate that the numerical efficiency of the original fe-dvr has been improved much using our proposed mapped coordinate scheme. |
| WOS标题词 | science & technology ; physical sciences |
| 类目[WOS] | physics, atomic, molecular & chemical |
| 研究领域[WOS] | physics |
| 关键词[WOS] | time-dependent hartree ; long-range molecules ; wave-packet ; schrodinger-equation ; photoassociation spectrum ; grid representations ; surface scattering ; quantum dynamics ; cold collisions ; fourier method |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000330591600020 |
| 公开日期 | 2015-11-10 |
| 源URL | [http://159.226.238.44/handle/321008/137815]  |
| 专题 | 大连化学物理研究所_中国科学院大连化学物理研究所 |
| 作者单位 | 1.Dalian Univ Technol, Sch Phys & Optoelect Technol, Dalian 116024, Peoples R China 2.Chinese Acad Sci, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China 3.Chinese Acad Sci, Ctr Theoret & Computat Chem, Dalian Inst Chem Phys, Dalian 116023, Peoples R China |
| 推荐引用方式 GB/T 7714 | Yu, De-quan,Cong, Shu-lin,Zhang, Dong H.,et al. Mapped Finite Element Discrete Variable Representation[J]. chinese journal of chemical physics,2013,26(6):755-764. |
| APA | Yu, De-quan,Cong, Shu-lin,Zhang, Dong H.,&Sun, Zhi-gang.(2013).Mapped Finite Element Discrete Variable Representation.chinese journal of chemical physics,26(6),755-764. |
| MLA | Yu, De-quan,et al."Mapped Finite Element Discrete Variable Representation".chinese journal of chemical physics 26.6(2013):755-764. |
入库方式： OAI收割
来源：大连化学物理研究所
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