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A general, energy-separable polynomial representation of the time-independent full Green operator with application to time-independent wavepacket forms of Schrödinger and Lippmann—Schwinger equations

✍ Scribed by Youhong Huang; Donald J. Kouri; David K. Hoffman

Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
705 KB
Volume
225
Category
Article
ISSN
0009-2614

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✦ Synopsis

A general, energy-separable Faber polynomial representation of the full time-independent Green operator is presented. Non-Hermitian Hamiltonians are included, allowing treatment of negative imaginary absorbing potentials. A connection between the Faber polynomial expansion and our earlier Chebychev polynomial expansion (Chem. Phys. Letters 206 (1993) 96) is established, thereby generalizing the Chebychev expansion to the complex energy plane. The method is applied to collinear H+ Hz reactive scattering.

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Time-to-energy transform of wavepackets
Time-to-energy transform of wavepackets using absorbing potentials. Time-independent wavepacket-Schrödinger and wavepacket-Lippmann—Schwinger equations
✍ Donald J. Kouri; Mark Arnold; David K. Hoffman 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 762 KB

It is shown that one may use an Lz basis, matrix representation of the Hamiltonian, including a negative imaginary absorbing potential, to carry out arbitrarily long-time evolution of wavepackets. The time-t&energy Fourier transform of the wavepacket is carried out analytically, yielding a new type