Analytical energy gradients for dynamical simulations of trans polyacetylene chains within the Pariser-Parr-Pople Hamiltonian
- 30 September 1987
- journal article
- Published by Elsevier in Solid State Communications
- Vol. 63 (10) , 941-944
- https://doi.org/10.1016/0038-1098(87)90345-0
Abstract
No abstract availableThis publication has 31 references indexed in Scilit:
- Influence of randomly fluctuating forces and energy dissipation on soliton dynamics in transpolyacetyleneSolid State Communications, 1986
- Photogenerated exciton-breather state intrans-polyacetylenePhysical Review B, 1986
- Influence of substitutional impurities on soliton dynamics in t r a n s-polyacetyleneThe Journal of Chemical Physics, 1986
- Soliton trapping and repulsion due to a co-group in trans-polyacetyleneSolid State Communications, 1986
- Bipolaron dynamics in nearly degenerate quasi-one-dimensional polymersPhysical Review B, 1986
- Dynamics of polyacetylene chainsPhysical Review B, 1984
- Breathers and Photoinduced Absorption in PolyacetylenePhysical Review Letters, 1984
- Existence of neutral kinks in polyacetyleneSolid State Communications, 1980
- Soliton excitations in polyacetylenePhysical Review B, 1980
- Solitons in PolyacetylenePhysical Review Letters, 1979