Predicting differential cross sections of electron scattering from tetrahydrofuran
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作者:
Zhang, Lulu
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Sichuan Univ, Inst Atom & Mol Phys, Chengdu 610065, Sichuan, Peoples R ChinaSichuan Univ, Inst Atom & Mol Phys, Chengdu 610065, Sichuan, Peoples R China
Zhang, Lulu
[1
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Sun, Weiguo
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机构:
Sichuan Univ, Inst Atom & Mol Phys, Chengdu 610065, Sichuan, Peoples R China
Xihua Univ, Res Ctr Adv Computat, Sch Sci, Chengdu 610039, Sichuan, Peoples R ChinaSichuan Univ, Inst Atom & Mol Phys, Chengdu 610065, Sichuan, Peoples R China
Sun, Weiguo
[1
,2
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Zhang, Yi
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机构:
Natl Univ Def Technol, Coll OptoElect Sci & Engn, Changsha 410073, Hunan, Peoples R ChinaSichuan Univ, Inst Atom & Mol Phys, Chengdu 610065, Sichuan, Peoples R China
Zhang, Yi
[3
]
Fan, Zhixiang
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机构:
Sichuan Univ, Inst Atom & Mol Phys, Chengdu 610065, Sichuan, Peoples R ChinaSichuan Univ, Inst Atom & Mol Phys, Chengdu 610065, Sichuan, Peoples R China
Fan, Zhixiang
[1
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Hu, Shide
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机构:
Sichuan Univ, Inst Atom & Mol Phys, Chengdu 610065, Sichuan, Peoples R ChinaSichuan Univ, Inst Atom & Mol Phys, Chengdu 610065, Sichuan, Peoples R China
Hu, Shide
[1
]
Fan, Qunchao
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机构:
Xihua Univ, Res Ctr Adv Computat, Sch Sci, Chengdu 610039, Sichuan, Peoples R ChinaSichuan Univ, Inst Atom & Mol Phys, Chengdu 610065, Sichuan, Peoples R China
Fan, Qunchao
[2
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机构:
[1] Sichuan Univ, Inst Atom & Mol Phys, Chengdu 610065, Sichuan, Peoples R China
[2] Xihua Univ, Res Ctr Adv Computat, Sch Sci, Chengdu 610039, Sichuan, Peoples R China
[3] Natl Univ Def Technol, Coll OptoElect Sci & Engn, Changsha 410073, Hunan, Peoples R China
A difference algebraic converging method for electron scattering from molecule (DACMe) is suggested based on the recently proposed difference converging method (DCM) to predict unknown differential cross sections (DCSs). The applications of the DACMe to electron scattering from tetrahydrofuran (THF) molecule at energies below 20 eV show that: (1) the DACMe DCSs excellently reproduce all the available experimental data; (2) the DACMe method correctly predicts unknown DCSs that may not be given experimentally; (3) the DACMe can be used as an economic and useful alternative method to predict the correct DCSs where such scattering data are required; (4) the DACMe method does not depend on the size and the stereochemistry structure of a scattering molecule; (5) the algebraic modification to the DCM enhances the computational efficiency of the DCM theoretical study by at least 110 times.
机构:
Flinders Univ S Australia, Sch Chem & Phys Sci, Adelaide, SA 5001, Australia
Can Tho Univ, Sch Educ, Can Tho City, VietnamFlinders Univ S Australia, Sch Chem & Phys Sci, Adelaide, SA 5001, Australia
Do, T. P. T.
Duque, H. V.
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机构:
Flinders Univ S Australia, Sch Chem & Phys Sci, Adelaide, SA 5001, Australia
Univ Fed Juiz de Fora, Dept Fis, BR-36036330 Juiz De Fora, MG, BrazilFlinders Univ S Australia, Sch Chem & Phys Sci, Adelaide, SA 5001, Australia
Duque, H. V.
Lopes, M. C. A.
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机构:
Univ Fed Juiz de Fora, Dept Fis, BR-36036330 Juiz De Fora, MG, BrazilFlinders Univ S Australia, Sch Chem & Phys Sci, Adelaide, SA 5001, Australia
Lopes, M. C. A.
Konovalov, D. A.
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机构:
James Cook Univ, Coll Sci Technol & Engn, Townsville, Qld 4811, AustraliaFlinders Univ S Australia, Sch Chem & Phys Sci, Adelaide, SA 5001, Australia
Konovalov, D. A.
White, R. D.
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机构:
James Cook Univ, Coll Sci Technol & Engn, Townsville, Qld 4811, AustraliaFlinders Univ S Australia, Sch Chem & Phys Sci, Adelaide, SA 5001, Australia
White, R. D.
Brunger, M. J.
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机构:
Flinders Univ S Australia, Sch Chem & Phys Sci, Adelaide, SA 5001, Australia
Univ Malaya, Inst Math Sci, Kuala Lumpur 50603, MalaysiaFlinders Univ S Australia, Sch Chem & Phys Sci, Adelaide, SA 5001, Australia
Brunger, M. J.
Jones, D. B.
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机构:
Flinders Univ S Australia, Sch Chem & Phys Sci, Adelaide, SA 5001, AustraliaFlinders Univ S Australia, Sch Chem & Phys Sci, Adelaide, SA 5001, Australia