Chu, Shih-I2014-11-212014-11-211991-07-09Chu, Shih-I. "Complex quasivibrational energy formalism for intense‐field multiphoton and above‐threshold dissociation: Complex‐scaling Fourier‐grid Hamiltonian method." The Journal of Chemical Physics 94, 7901 (1991); http://dx.doi.org/10.1063/1.460125.https://hdl.handle.net/1808/15832This is the published version, also available here: http://dx.doi.org/10.1063/1.460125We present a new complex‐scaling Fourier‐grid Hamiltonian (CSFGH) method for accurate and efficient determination of laser‐induced (multichannel) molecular resonance states without the use of basis set expansions. The method requires neither the computation of potential matrix elements nor the imposition of boundary conditions, and the eigenvectors provide directly the values of the resonance wave functions at the space grid points. The procedure is particularly valuable for excited‐state problems where basis set expansion methods face the challenge. The simplicity and usefulness of the CSFGH method is demonstrated by a case study of the intensity‐dependent c o m p l e x quasivibrational energyeigenvalues (E R , −Γ/2) and eigenvectors associated with multiphoton and above‐threshold dissociation of H+ 2 ions in the presence of intense laser fields (I=1012–1014 W/cm2 ).Molecular dissociationDissociationBoundary value problemsEigenvaluesDissociation energiesArticle10.1063/1.460125openAccess