Recent advances in the application of the Schwinger multichannel method with pseudopotentials to electron-molecule collisions

被引:132
作者
da Costa, Romarly F. [1 ]
Varella, Marcio T. do N. [2 ]
Bettega, Marcio H. F. [3 ]
Lima, Marco A. P. [4 ]
机构
[1] Univ Fed ABC, Ctr Ciencias Nat & Humanas, BR-09210170 Sao Paulo, Brazil
[2] Univ Sao Paulo, Inst Fis, BR-05315970 Sao Paulo, Brazil
[3] Univ Fed Parana, Dept Fis, BR-81531990 Curitiba, Parana, Brazil
[4] Univ Estadual Campinas, Inst Fis Gleb Wataghin, BR-13083859 Sao Paulo, Brazil
基金
巴西圣保罗研究基金会;
关键词
NORM-CONSERVING PSEUDOPOTENTIALS; DIFFERENTIAL CROSS-SECTIONS; LINEAR ALGEBRAIC APPROACH; FORMIC-ACID HCOOH; IMPACT EXCITATION; IMAGINARY PART; VIBRATIONAL-EXCITATION; ELASTIC-SCATTERING; ROTATIONAL EXCITATIONS; VARIATIONAL PRINCIPLE;
D O I
10.1140/epjd/e2015-60192-6
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
The Schwinger multichannel method [K. Takatsuka and V. McKoy, Phys. Rev. A 30, 1734 (1984)], which is based on the Schwinger variational principle for the scattering amplitude [J. Schwinger, Phys. Rev. 72, 742 (1947)], was designed to account for exchange, polarization and electronically multichannel coupling effects in the low-energy region of electron scattering from molecules with arbitrary geometry. The applications of the method became more ambitious with the availability of computer power combined with parallel processing, use of norm-conserving pseudopotentials and improvement of the description of target excited states (minimal orbital basis for single configuration interaction). The most recent applications involving 33 and 45 electronically open channels for phenol and ethylene molecules, represent good examples of the present status of the method. In this colloquium, we review the strategy and point out new directions to apply the method in its full extension.
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页数:24
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