Complex absorbing potential

Riss U V and Meyer H D 1998 The transformative complex absorbing potential method a bridge between complex absorbing potentials and smooth exterior scaling J. Phys. B At. Mol. Opt. Phys. 31 2279... 

G. G. Balint-Kurti and A. Vibok, Complex absorbing potentials in time dependent quantum dynamics, in Numerical Grid Methods and Their Application to Schrdinger s Equation, C. Ceijan, ed., NATO ASI series, Series C Mathematical and Physical Sciences, Vol. 412 (Kluwer Academic Publishers, 1993), p. 195. 

U.V. Riss, H.-D. Meyer, Calculation of Resonance Energies an Widths Using the Complex Absorbing Potential Method, J. Phys. B Atom. Mol. Opt. Phys. 26 (23) (1993) 4503. 

J.-Y. Ge, J.Z.H. Zhang. Channel-dependent complex absorbing potential for multi-channel scattering, Chem. Phys. Lett. 292 (1-2) (1998) 51. 

A. Vibok, G.G. Bahntkurti, Parametrization of complex absorbing potentials for lime-dependent quantum dynamics,/. Phys. Oiem. 96 (22) (1992) 8712-8719. 

Balint-Kurti, G.G. and Vib6k,A. (1993) Complex Absorbing Potentials in Time Dependent Quantum Dynamics, in C. Cerjan (cd.). Numerical Grid Methods and their AppliaiMon to Sehrdinger s Equation, NATO ASI scries, Scries C Mathematical and Physical Sciences, Kluwer Academic Publishers, 412 195-205. 

RisS U. V. and IMeyer, H.-D. (1996) Investigation on the reflection and transmission properties of complex absorbing potentials,, 7. Chem. Phys. 105, 1409-1419. 

Vibdk, A. and Balint-Knrti, G.G. (1992) Parameterization of Complex Absorbing Potentials for use in Time Dependent Quantum Dvnarnics, J. Phy.s. Chem. 96, 8712-8719. 

U. V. Riss and H-D. Meyer, Calculation of resonance energies and widths using the complex absorbing potential method, /. Phys. B 26 4503 (1993). 

Sajeev and Moiseyev [40] Reflection-free complex absorbing potential 12.56 0.617... 

It is seen that, after 12 fs, the wave packet splits into two parts, moving to the left and to the right, respectively. The part on the left-hand side represents the molecules that isomerize to the ethylene complex. These parts are absorbed by a complex absorbing potential (CAP) that simulates decay of the complex, and they disappear for t > 80 fs. The part that moves along the right-hand side of the barrier runs into the local minimum of the P-agostic structure. It evolves further to the TS2 barrier, where it is reflected at 144 fs. Subsequently, the wave packet returns to the TSl barrier, where a part of it overcomes the barrier and is thus... 

It should be noted that the initial and final wave packets are usually expressed in the Jacobi coordinates of their own arrangements, which results in the difficult coordinate problem in state-to-state reactive scattering as we mentioned previously. One may either choose the product Jacobi coordinate [47,53,65,151], or reactant Jacobi coordinate to propagate the initial wave packet, and there also exist two other methodologies but may be both named as reactant coordinate-based (RGB) method the first one is to employ interpolation schemes for the coordinate transformation [41,89,126,127,156], and the second one is realized by projection of both reactant and product wave packets to an intermediate coordinate [43,127], Alternatively, in the reactant-product decoupling (RPD) method [6,7,96], both the reactant and product coordinates are used, and they are divided and combined by a complex absorbing potential. 

Jackie A, Meyer H-D (1996) Time-dependent calculation of reactive flux employing complex absorbing potentials general aspects and application within the mctdh approach. J Chem Phys 105 6778... 

Extensive use is made of these complex absorbing potentials. There has been a lot of discussion of the detailed form they should take [15, 16]. They must also be sufficiently strong to absorb the entire wavepacket. Our findings, after detailed study, are as follows. 

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