High-accurate transparent boundary conditions for time-dependent quantum wave packet method
Complex absorbing potential is usually required in a time-dependent wave packet method to accomplish the calculation in a truncated region. Usually it works effectively but becomes inefficient when the wave function involves translational energy of broad range, particularly involving ultra-low energ...
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| Veröffentlicht in: | Chinese journal of chemical physics 2020-04, Vol.33 (2), p.258-262 |
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| container_title | Chinese journal of chemical physics |
| container_volume | 33 |
| creator | Huang, Yin Zhao, Hai-lin Usman, Syed Kazim Ajibade, Ganiyu Ayodele Sun, Zhi-gang |
| description | Complex absorbing potential is usually required in a time-dependent wave packet method to
accomplish the calculation in a truncated region. Usually it works effectively but becomes
inefficient when the wave function involves translational energy of broad range,
particularly involving ultra-low energy. In this work, a new transparent boundary
condition (TBC) is proposed for the time-dependent wave packet method. It in principle is
of spectral accuracy when typical discrete variable representations are applied. The
prominent merit of the new TBC is that its accuracy is insensitive to the translational
energy distribution of the wave function, in contrast with the complex absorbing
potential. Application of the new TBC is given to one-dimensional particle wave packet
scatterings from a barrier with a potential well, which supports resonances states. |
| doi_str_mv | 10.1063/1674-0068/cjcp1909167 |
| format | Article |
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accomplish the calculation in a truncated region. Usually it works effectively but becomes
inefficient when the wave function involves translational energy of broad range,
particularly involving ultra-low energy. In this work, a new transparent boundary
condition (TBC) is proposed for the time-dependent wave packet method. It in principle is
of spectral accuracy when typical discrete variable representations are applied. The
prominent merit of the new TBC is that its accuracy is insensitive to the translational
energy distribution of the wave function, in contrast with the complex absorbing
potential. Application of the new TBC is given to one-dimensional particle wave packet
scatterings from a barrier with a potential well, which supports resonances states.</description><identifier>ISSN: 1674-0068</identifier><identifier>EISSN: 2327-2244</identifier><identifier>DOI: 10.1063/1674-0068/cjcp1909167</identifier><identifier>CODEN: CJCPA6</identifier><language>eng</language><publisher>University of Chinese Academy of Sciences, Beijing 100049, China</publisher><ispartof>Chinese journal of chemical physics, 2020-04, Vol.33 (2), p.258-262</ispartof><rights>Chinese Physical Society</rights><rights>Copyright © Wanfang Data Co. Ltd. All Rights Reserved.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c367t-92ef25983ab24603d7ae9087cd5ed0bf2a2f9d3ad165f6eabf01764ada10a23d3</citedby><cites>FETCH-LOGICAL-c367t-92ef25983ab24603d7ae9087cd5ed0bf2a2f9d3ad165f6eabf01764ada10a23d3</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Uhttp://www.wanfangdata.com.cn/images/PeriodicalImages/hxwlxb/hxwlxb.jpg</thumbnail><link.rule.ids>314,778,782,27907,27908</link.rule.ids></links><search><creatorcontrib>Huang, Yin</creatorcontrib><creatorcontrib>Zhao, Hai-lin</creatorcontrib><creatorcontrib>Usman, Syed Kazim</creatorcontrib><creatorcontrib>Ajibade, Ganiyu Ayodele</creatorcontrib><creatorcontrib>Sun, Zhi-gang</creatorcontrib><title>High-accurate transparent boundary conditions for time-dependent quantum wave packet method</title><title>Chinese journal of chemical physics</title><description>Complex absorbing potential is usually required in a time-dependent wave packet method to
accomplish the calculation in a truncated region. Usually it works effectively but becomes
inefficient when the wave function involves translational energy of broad range,
particularly involving ultra-low energy. In this work, a new transparent boundary
condition (TBC) is proposed for the time-dependent wave packet method. It in principle is
of spectral accuracy when typical discrete variable representations are applied. The
prominent merit of the new TBC is that its accuracy is insensitive to the translational
energy distribution of the wave function, in contrast with the complex absorbing
potential. Application of the new TBC is given to one-dimensional particle wave packet
scatterings from a barrier with a potential well, which supports resonances states.</description><issn>1674-0068</issn><issn>2327-2244</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2020</creationdate><recordtype>article</recordtype><recordid>eNp9kF1LwzAUhoMoOKc_QeidINTlo0nXSxnqhIE3euVFOM3H1rkmNU23-e9tmQxv9ObkEJ43L3kQuib4jmDBJkTkWYqxmE7UWjWkwEV_c4JGlNE8pTTLTtHoyJyji7Zd9xsnGI_Q-7xarlJQqgsQTRIDuLaBYFxMSt85DeErUd7pKlbetYn1IYlVbVJtGuP0gH124GJXJzvYmqQB9WFiUpu48voSnVnYtObq5xyjt8eH19k8Xbw8Pc_uF6liIo9pQY2lvJgyKGkmMNM5mAJPc6W50bi0FKgtNANNBLfCQGkxyUUGGggGyjQbo5vDuztwFtxSrn0XXN8oV_vdZl9STDEeRk_yA6mCb9tgrGxCVfd_lATLwaUcPMnBk_zlss_dHnKtqiIMKo7BrQ-SSE4yznMmG217WPwF_9_yDd6OipE</recordid><startdate>20200401</startdate><enddate>20200401</enddate><creator>Huang, Yin</creator><creator>Zhao, Hai-lin</creator><creator>Usman, Syed Kazim</creator><creator>Ajibade, Ganiyu Ayodele</creator><creator>Sun, Zhi-gang</creator><general>University of Chinese Academy of Sciences, Beijing 100049, China</general><general>State Key Laboratory of Molecular Reaction Dynamics and Center for Theoretical Computational Chemistry, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China%State Key Laboratory of Molecular Reaction Dynamics and Center for Theoretical Computational Chemistry, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China</general><scope>AAYXX</scope><scope>CITATION</scope><scope>2B.</scope><scope>4A8</scope><scope>92I</scope><scope>93N</scope><scope>PSX</scope><scope>TCJ</scope></search><sort><creationdate>20200401</creationdate><title>High-accurate transparent boundary conditions for time-dependent quantum wave packet method</title><author>Huang, Yin ; Zhao, Hai-lin ; Usman, Syed Kazim ; Ajibade, Ganiyu Ayodele ; Sun, Zhi-gang</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c367t-92ef25983ab24603d7ae9087cd5ed0bf2a2f9d3ad165f6eabf01764ada10a23d3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2020</creationdate><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Huang, Yin</creatorcontrib><creatorcontrib>Zhao, Hai-lin</creatorcontrib><creatorcontrib>Usman, Syed Kazim</creatorcontrib><creatorcontrib>Ajibade, Ganiyu Ayodele</creatorcontrib><creatorcontrib>Sun, Zhi-gang</creatorcontrib><collection>CrossRef</collection><collection>Wanfang Data Journals - Hong Kong</collection><collection>WANFANG Data Centre</collection><collection>Wanfang Data Journals</collection><collection>万方数据期刊 - 香港版</collection><collection>China Online Journals (COJ)</collection><collection>China Online Journals (COJ)</collection><jtitle>Chinese journal of chemical physics</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Huang, Yin</au><au>Zhao, Hai-lin</au><au>Usman, Syed Kazim</au><au>Ajibade, Ganiyu Ayodele</au><au>Sun, Zhi-gang</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>High-accurate transparent boundary conditions for time-dependent quantum wave packet method</atitle><jtitle>Chinese journal of chemical physics</jtitle><date>2020-04-01</date><risdate>2020</risdate><volume>33</volume><issue>2</issue><spage>258</spage><epage>262</epage><pages>258-262</pages><issn>1674-0068</issn><eissn>2327-2244</eissn><coden>CJCPA6</coden><abstract>Complex absorbing potential is usually required in a time-dependent wave packet method to
accomplish the calculation in a truncated region. Usually it works effectively but becomes
inefficient when the wave function involves translational energy of broad range,
particularly involving ultra-low energy. In this work, a new transparent boundary
condition (TBC) is proposed for the time-dependent wave packet method. It in principle is
of spectral accuracy when typical discrete variable representations are applied. The
prominent merit of the new TBC is that its accuracy is insensitive to the translational
energy distribution of the wave function, in contrast with the complex absorbing
potential. Application of the new TBC is given to one-dimensional particle wave packet
scatterings from a barrier with a potential well, which supports resonances states.</abstract><pub>University of Chinese Academy of Sciences, Beijing 100049, China</pub><doi>10.1063/1674-0068/cjcp1909167</doi><tpages>5</tpages></addata></record> |
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| ispartof | Chinese journal of chemical physics, 2020-04, Vol.33 (2), p.258-262 |
| issn | 1674-0068 2327-2244 |
| language | eng |
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| source | Alma/SFX Local Collection |
| title | High-accurate transparent boundary conditions for time-dependent quantum wave packet method |
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