The Hermitian properties of the Hamiltonian are related not only to the operator itself but also to the functions on which it acts. Hermitian Hamiltonians operate on functions in the L 2 Hilbert space which correspond to boundary conditions which vanish at infinity. In this chapter, in order to move into the non-Hermitian domain, we will impose on the solutions to the time-independent Schrödinger equation (TISE) different boundary conditions which lead to solutions which can be associated with different types of the complex poles of the scattering matrix. These solutions will contain information which was not available within the scope of functions in L 2 . By imposing outgoing boundary conditions on the eigenfunctions of the timeindependent Hamiltonian complex eigenvalues, E res = ε − (i/2)Г, are obtained. These complex energies are associated with decaying resonance states which were discussed in the previous two chapters. The bound states (if they exist) appear as real eigenvalues since they result from exactly such outgoing boundary conditions which appear under the threshold energy. When incoming boundary conditions are imposed two kind of solution are obtained. One type of solution is the complex conjugates of the decay resonance solutions mentioned above. In scattering theory text books (see Taylor for example) the physical resonance solutions are associated with the poles of the scattering matrix which are embedded in the lower half of the complex energy plane. However, in nuclear physics the complex poles embedded in the upper half of the complex energy plane, so-called virtual states , are denoted as capture resonances .
As discussed in the previous chapter, the poles of the S-matrix are identified with discrete eigenvalues of the time-independent Schrödinger equation, where the asymptotes of the corresponding eigenfunctions are either purely outgoing waves or purely incoming waves. More specifically, the bound and decay resonance poles are obtained by imposing the outgoing boundary conditions on the solutions of the time-independent Schrödinger equation, while the anti-bound and virtual states (sometimes referred to as capture resonances) are associated with the solutions obtained under the requirement of the incoming boundary conditions. Except for the bound states, all other poles of the S-matrix are associated with exponentially divergent wavefunctions which by definition do not belong to the Hilbert space of conventional Hermitian quantum mechanics. This fact represents a major difficulty for the development of a non-Hermitian quantum mechanical formalism. Consequently, one may wonder, for example, how to properly define an inner product in non-Hermitian quantum mechanics (NHQM) if the wavefunctions diverge asymptotically. We recall in this context that the concept of an inner product constitutes a fundamental building block of standard (Hermitian) quantum mechanics (QM), by means of which one defines the quantum mechanical expectation values of physically observable quantities over the quantum states under consideration. An inner product for NHQM is necessary in order to accommodate the tools of conventional QM. Furthermore, one might anticipate that an appropriate NHQM inner product would also facilitate practical numerical calculation of the S-matrix poles for those cases where the eigenvalues of the Hamiltonian do not possess an analytical closed form expression (unlike the cases studied in the previous chapter).
As has been shown long time ago by Feshbach, the exact energy spectrum of the full problem can be obtained by solving two different self-energy problems. In spite of the fact that the two effective Hamiltonians are derived in very similar ways in one case, the exact energy spectrum of the full problem can be either real or complex (depending on the boundary conditions), whereas the exact energy spectrum associated with the second effective Hamiltonian has to be complex (excluding bound states in the continuum). The focus of this paper is on the fact that in both cases the complex eigenvalues result from the same requirement of an out-going boundary condition. The branching of quantum mechanics to standard (Hermitian) formalism and non-Hermitian formalism is associated with the decision to express the exact energy spectrum with one of the two possible self-consistent like problems where the use of the Green operator imposes an outgoing boundary condition on the solutions of the time-independent Schrodinger equation. Our analysis is made for the case where an ABC molecule has sufficient energy to dissociate to A + BC but not to A + B + C and not to AB + C or to AC + B.
Although the standard formalism of quantum mechanics is based on the requirement of the physical operators to be Hermitian, the use of non-Hermitian operators in the study of different types of phenomena is not uncommon. One of the most well-known non-Hermitian potentials is the optical potential where for any given choice of N channels the exact eigenvalue is a solution of a single-channel problem. The optical potential is a non-Hermitian, non-local and energy-dependent operator. In his book on scattering theory Taylor writes: “In practice, the optical potential is far too complicated for exact use in actual calculations”. It is often believed that the complex energies which are obtained by the use of optical potentials result from the approximations in the calculations. However, this is not true. The complex energy obtained by solving the one-channel problem with an optical potential is the exact eigenvalue of the original N -channel problem which is obtained by imposing outgoing boundary conditions on the eigenfunctions of the time-independent Schrödinger equation. In this chapter we wish to show that the study of the resonances in multi-channel problems (so-called Feshbach resonances) can be considered as the point where quantum mechanics branches into the standard (Hermitian) and non-standard (non-Hermitan) formalisms. Feshbach resonances Quite a long time ago Feshbach showed that the exact energy spectrum of the full physical problem can be obtained by solving two different self-energy problems.
This chapter deals with the time-independent Schrödinger equation. The introduction of complex ‘Hamiltonians’ is essential for treating resonances that are inherently different from genuine (physical) bound states. True square-integrable bound-state eigenvectors are associated with discrete negative eigenenergies and Hermitean Hamiltonians. Resonant states are also square-integrable, but they are linked to complex energies with positive real parts that belong to a continuum. The concept of the absorbing boundary condition comes to rescue the situation via the introduction of complex ‘Hamiltonians’ with normalizable scattering wavefunctions as proper physical states. A method which can provide an adequate spectral representation of the total Green operator or resolvent G^(ω) would be one of the key inputs into an invaluable practical quantum-mechanical theory for scattering (E = 0) and spectroscopy (E < 0).
For the understanding of irreversibility at the quantum level, the formation and decay of transient (unstable) states play a fundamental role. If the system is treated within Hermitian quantum mechanics, the resulting energy distribution of the resonance state, whose Fourier transform yields the time-dependent probability of decay,
P(t), is real. The physical constraint of the lower bound in the energy spectrum introduces ``memory,'' and causes nonexponential decay (NED) to set in after $t\ensuremath{\gg}\ensuremath{\tau},$ where \ensuremath{\tau} is the lifetime defined by exponential decay. The closer to threshold the decaying state is, the earlier NED appears. Apart from the constraint of
E> 0, the constraint of
t> 0 must be accounted for at the same time. It results from the discontinuity at
t=0 of the solution of the time-dependent Schr\"odinger equation, which breaks the unitarity associated with the S matrix and gives rise to a complex energy distribution, as a manifestation of the non-Hermitian property of the decaying states. For a narrow isolated resonance state, for which the self-energy is essentially energy-independent, analytic results for
PNED(t) obtained from semiclassical path-integral calculations agree with the quantum-mechanical ones when both physical constraints
E>0 and
t>0 are taken into account. As an example of the difference in the magnitude of the
PNED(t) when using a real and a complex energy distribution, application is made to the decay of the unstable ${\mathrm{He}}_{2}^{2+}{}^{1}{\ensuremath{\Sigma}}_{g}^{+}$ ground molecular state.
With a view to obtaining further insight into the nature of eigenvalues and eigenfunctions of a stationary state one-dimensional Schrödinger equation corresponding to a non-Hermitian Hamiltonian H ( x , p ) we investigate the ground-state solutions for a variety of potentials within the framework of an extended complex phase space characterized by x = x 1 + i p 2 , p = p 1 + i x 2 , where ( x 1 , p 1 ) and ( x 2 , p 2 ) are real and considered as canonical pairs. The analyticity property of the eigenfunction alone is found sufficient to throw light on the nature of eigenvalues and eigenfunctions for different systems. It is noted that the imaginary part of the eigenvalue, E i , turns out to be zero for all potentials V ( x ) with real couplings whereas it turns out to be nonzero for the case when the couplings are complex. The prescription is also extended to study the excited states. The problems related to the normalization of the eigenfunction and the boundary conditions to be used within this framework are also discussed.