Potential Splitting Approach for Atomic and Molecular Systems

Yarevsky, Evgeny; Yakovlev, Sergey L.; Elander, Nils; Larson, Åsa

doi:10.1007/978-3-030-32357-8_12

Potential Splitting Approach for Atomic and Molecular Systems

2020

5 pages

Published in:

Springer Proc.Phys. 238 (2020) 61-65

Contribution to:

- FB22
, 61-65

Published: 2020

DOI:

10.1007/978-3-030-32357-8_12

reference search0 citations

Citations per year

0 Citations

Abstract: (Springer)

In order to describe few-body scattering in the case of the Coulomb interaction, an approach based on splitting the reaction potential into a finite range part and a long range tail part is presented. The resulting driven Schrödinger equation with asymptotic outgoing waves is solved with the exterior complex scaling. The approach is illustrated with calculations of the electron scattering on the hydrogen atom and the positive helium ion. The scattering processes in the H

{}^+

– H

{}^+_2

system with one-state electronic energy surface have also been studied.

References(12)

Figures(0)

[1]

: Quantum Scattering Theory for Several Particle Systems. Kluwer, Dordrecht

L.D. Faddeev
,
S.P. Merkuriev

•
DOI:
- 10.1007/978-94-017-2832-4

[2]

:

I. Bray

- Phys.Rept. 520 (2012) 135
•
DOI:
- 10.1016/j.physrep.2012.07.002

[3]

Potential splitting approach to multichannel Coulomb scattering: The Driven Schrodinger equation formulation

M.V. Volkov
(
- Stockholm U. and
- St. Petersburg State U.
)
,
S.L. Yakovlev
(
- St. Petersburg State U.
)
,
E.A. Yarevsky
(
- St. Petersburg State U.
)
,
N. Elander
(
- Stockholm U.
)

- Phys.Rev.A 83 (2011) 032722
•
e-Print:
- 1102.0549
•
DOI:
- 10.1103/PhysRevA.83.032722

[4]

:

M.V. Volkov

- EPL 110 (2015) 30006
•
DOI:
- 10.1209/0295-5075/110/30006

[5]

:

E. Yarevsky

- J.Phys.B 48 (2015) 115002
•
DOI:
- 10.1088/0953-4075/48/11/115002

[6]

:

E. Yarevsky

- J.Phys.B 50 (2017) 055001
•
DOI:
- 10.1088/1361-6455/aa5996

[7]

:

T.N. Rescigno

- Phys.Rev.A 55 (1997) 4253
•
DOI:
- 10.1103/PhysRevA.55.4253

[8]

:

P.L. Bartlett

- J.Phys.B 39 (2006) R379
•
DOI:
- 10.1088/0953-4075/39/22/R01

[9]

:

N. Elander

- Phys.Rev.A 67 (2003) 062508
•
DOI:
- 10.1103/PhysRevA.67.062508

[10]

:

Y.D. Wang
,
J. Callaway

- Phys.Rev.A 48 (1993) 2058
•
DOI:
- 10.1103/PhysRevA.48.2058

[11]

Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

Thom H. Dunning

- J.Chem.Phys. 90 (1989) 2, 1007-1023
•
DOI:
- 10.1063/1.456153

[12]

: MOLPRO, version.1, a package of ab initio programs

H.-J. Werner