Comparison of the multi-configuration, time-dependent Hartree (MCTDH) method with the Arthurs and Dalgarno coupled-channel method for rotationally inelastic scattering
Calculations of rotationally inelastic scattering at thermal energies for a model atom-diatom system have been performed using two completely different methodologies. The first method is the multi-configuration time-dependent Hartree (MCTDH) wave packet method, and the second is the well known, time...
Gespeichert in:
| Hauptverfasser: | , , , , |
|---|---|
| Dokumenttyp: | Article (Journal) |
| Sprache: | Englisch |
| Veröffentlicht: |
24 August 2013
|
| In: |
Chemical physics letters
Year: 2013, Jahrgang: 585, Pages: 184-188 |
| DOI: | 10.1016/j.cplett.2013.08.083 |
| Online-Zugang: | Verlag, lizenzpflichtig, Volltext: https://doi.org/10.1016/j.cplett.2013.08.083 Verlag, lizenzpflichtig, Volltext: https://www.sciencedirect.com/science/article/pii/S0009261413010944 
|
| Verfasserangaben: | R.F. Malenda, F. Gatti, H.-D. Meyer, D. Talbi, A.P. Hickman |
MARC
| LEADER | 00000caa a2200000 c 4500 | ||
|---|---|---|---|
| 001 | 1760657557 | ||
| 003 | DE-627 | ||
| 005 | 20220819232612.0 | ||
| 007 | cr uuu---uuuuu | ||
| 008 | 210616s2013 xx |||||o 00| ||eng c | ||
| 024 | 7 | |a 10.1016/j.cplett.2013.08.083 |2 doi | |
| 035 | |a (DE-627)1760657557 | ||
| 035 | |a (DE-599)KXP1760657557 | ||
| 035 | |a (OCoLC)1341416536 | ||
| 040 | |a DE-627 |b ger |c DE-627 |e rda | ||
| 041 | |a eng | ||
| 084 | |a 30 |2 sdnb | ||
| 100 | 1 | |a Malenda, Ruth |e VerfasserIn |0 (DE-588)1235625907 |0 (DE-627)176065812X |4 aut | |
| 245 | 1 | 0 | |a Comparison of the multi-configuration, time-dependent Hartree (MCTDH) method with the Arthurs and Dalgarno coupled-channel method for rotationally inelastic scattering |c R.F. Malenda, F. Gatti, H.-D. Meyer, D. Talbi, A.P. Hickman |
| 264 | 1 | |c 24 August 2013 | |
| 300 | |a 5 | ||
| 336 | |a Text |b txt |2 rdacontent | ||
| 337 | |a Computermedien |b c |2 rdamedia | ||
| 338 | |a Online-Ressource |b cr |2 rdacarrier | ||
| 500 | |a Gesehen am 16.06.2021 | ||
| 520 | |a Calculations of rotationally inelastic scattering at thermal energies for a model atom-diatom system have been performed using two completely different methodologies. The first method is the multi-configuration time-dependent Hartree (MCTDH) wave packet method, and the second is the well known, time-independent, Arthurs and Dalgarno coupled channel formalism. Excellent agreement is obtained between the two calculations. The advantages and drawbacks of these two methods are somewhat complementary, so that the decision to use one or the other approach will depend on what type of computational results are desired. | ||
| 700 | 1 | |a Gatti, F. |e VerfasserIn |4 aut | |
| 700 | 1 | |a Meyer, Hans-Dieter |d 1947- |e VerfasserIn |0 (DE-588)1143535847 |0 (DE-627)1002742153 |0 (DE-576)495009997 |4 aut | |
| 700 | 1 | |a Talbi, D. |e VerfasserIn |4 aut | |
| 700 | 1 | |a Hickman, A. P. |e VerfasserIn |4 aut | |
| 773 | 0 | 8 | |i Enthalten in |t Chemical physics letters |d Amsterdam [u.a.] : Elsevier, 1967 |g 585(2013), Seite 184-188 |h Online-Ressource |w (DE-627)265783704 |w (DE-600)1466293-0 |w (DE-576)074890905 |7 nnas |a Comparison of the multi-configuration, time-dependent Hartree (MCTDH) method with the Arthurs and Dalgarno coupled-channel method for rotationally inelastic scattering |
| 773 | 1 | 8 | |g volume:585 |g year:2013 |g pages:184-188 |g extent:5 |a Comparison of the multi-configuration, time-dependent Hartree (MCTDH) method with the Arthurs and Dalgarno coupled-channel method for rotationally inelastic scattering |
| 856 | 4 | 0 | |u https://doi.org/10.1016/j.cplett.2013.08.083 |x Verlag |x Resolving-System |z lizenzpflichtig |3 Volltext |
| 856 | 4 | 0 | |u https://www.sciencedirect.com/science/article/pii/S0009261413010944 |x Verlag |z lizenzpflichtig |3 Volltext |
| 951 | |a AR | ||
| 992 | |a 20210616 | ||
| 993 | |a Article | ||
| 994 | |a 2013 | ||
| 998 | |g 1143535847 |a Meyer, Hans-Dieter |m 1143535847:Meyer, Hans-Dieter |d 120000 |d 120300 |e 120000PM1143535847 |e 120300PM1143535847 |k 0/120000/ |k 1/120000/120300/ |p 3 | ||
| 999 | |a KXP-PPN1760657557 |e 3938909269 | ||
| BIB | |a Y | ||
| SER | |a journal | ||
| JSO | |a {"title":[{"title":"Comparison of the multi-configuration, time-dependent Hartree (MCTDH) method with the Arthurs and Dalgarno coupled-channel method for rotationally inelastic scattering","title_sort":"Comparison of the multi-configuration, time-dependent Hartree (MCTDH) method with the Arthurs and Dalgarno coupled-channel method for rotationally inelastic scattering"}],"person":[{"role":"aut","roleDisplay":"VerfasserIn","display":"Malenda, Ruth","given":"Ruth","family":"Malenda"},{"given":"F.","family":"Gatti","role":"aut","roleDisplay":"VerfasserIn","display":"Gatti, F."},{"display":"Meyer, Hans-Dieter","roleDisplay":"VerfasserIn","role":"aut","family":"Meyer","given":"Hans-Dieter"},{"family":"Talbi","given":"D.","display":"Talbi, D.","roleDisplay":"VerfasserIn","role":"aut"},{"role":"aut","display":"Hickman, A. P.","roleDisplay":"VerfasserIn","given":"A. P.","family":"Hickman"}],"language":["eng"],"recId":"1760657557","type":{"media":"Online-Ressource","bibl":"article-journal"},"note":["Gesehen am 16.06.2021"],"id":{"doi":["10.1016/j.cplett.2013.08.083"],"eki":["1760657557"]},"origin":[{"dateIssuedDisp":"24 August 2013","dateIssuedKey":"2013"}],"name":{"displayForm":["R.F. Malenda, F. Gatti, H.-D. Meyer, D. Talbi, A.P. Hickman"]},"relHost":[{"type":{"bibl":"periodical","media":"Online-Ressource"},"note":["Gesehen am 11.02.13"],"disp":"Comparison of the multi-configuration, time-dependent Hartree (MCTDH) method with the Arthurs and Dalgarno coupled-channel method for rotationally inelastic scatteringChemical physics letters","recId":"265783704","language":["eng"],"pubHistory":["1.1967/68 - 517.2011; Vol. 518.2011-"],"part":{"year":"2013","pages":"184-188","text":"585(2013), Seite 184-188","volume":"585","extent":"5"},"title":[{"title":"Chemical physics letters","title_sort":"Chemical physics letters"}],"physDesc":[{"extent":"Online-Ressource"}],"origin":[{"publisherPlace":"Amsterdam [u.a.] ; Amsterdam","dateIssuedDisp":"1967-","publisher":"Elsevier ; North-Holland Publ. Co.","dateIssuedKey":"1967"}],"id":{"zdb":["1466293-0"],"eki":["265783704"]}}],"physDesc":[{"extent":"5 S."}]} | ||
| SRT | |a MALENDARUTCOMPARISON2420 | ||