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Regularization of coulomb potential for calculating electron density in quantum mechanical systems

Sergey Kshevetsky, Aleksandr Shapilov (TASK, 2017)

 Abstrak

ABSTRAK
In this paper we show a simple and effective method for regularizing the Coulomb potential for numerical calculations of quantum mechanical problems, such as, for example, the solution of the Schrodinger equation, the expansion of charge density and others. The introduction explains why the regularization of the Coulomb potential is important. In the second part, the regularization method itself as well as its advantages and disadvantages will be described in detail. The third part demonstrates some numerical calculations for the Sulfur plus Hydrogen system using the proposed method. In the final part, the obtained results are summed up.

 Metadata

No. Panggil : 600 SBAG 21:2 (2017)
Entri utama-Nama orang :
Entri tambahan-Nama orang :
Penerbitan : [Place of publication not identified]: TASK, 2017
Sumber Pengatalogan : LibUI eng rda
ISSN : 14286394
Majalah/Jurnal : Scientific Bulletin of Academic Computer Centre in Gdanks
Volume : Vol. 21, No. 2, April 2017 : hal. 177-184
Tipe Konten : text
Tipe Media : unmediated
Tipe Carrier : volume
Akses Elektronik :
Institusi Pemilik : Universitas Indonesia
Lokasi : Perpustakaan UI, Lantai 4, R. Koleksi Jurnal
  • Ketersediaan
  • Ulasan
No. Panggil No. Barkod Ketersediaan
600 SBAG 21:2 (2017) 03-19-828268701 TERSEDIA
Ulasan:
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