This talk is about a method for solving the numerical initial value problem of the time-dependent Schrodinger equation with a Hamiltonian which may depend on time. It is only for time independent Hamiltonians that I was able to describe the accuracy and stability properties in the form of proven theorems. All practical experience shows, that the time-dependent case behaves equally well. In this method, the Hamiltonian comes in only as a hermitian linear operator and not as a mathematical expression that can be reordered or otherwise transformed in order to speed up the necessary calculations. In all cases where it is a feasible computational task to apply the Hamilton operator to a generic state vector, my suggestion is to try this method as a workhorse. It can be considered a ‘Simpson’s rule’ for quantum dynamics. There is no way for me to explain the matter from a technical point of view in 10 minutes, so I’ll try to convey the basic idea of the method. This idea is to treat quantum dynamics in closer analogy to classical dynamics as one usually does. One may argue, that there is a fundamental difference between classical and quantum dynamics since the Schrodinger equation is first order with respect to the time derivative, whereas classical mechanics is inherently second order, since forces determine accelerations and not velocities. This is not so clear a distinction as one might think, since also classical mechanics can be given the first-order form of canonical equations. I propose the opposite of such an approach, namely to give quantum dynamics a second-order form by simply differentiating the time-dependent Schrodinger equation with respect to time. To be sure, this is only a heuristic device for defining a computationally feasible approximation and not a proposal to change quantum mechanics. For the resulting equation for the second time derivative of the wave function, I then carry over and use the integration methods from the field of granular matter dynamics which I have been using in an industrial project concerning simulation of the toning process in electro-photographic copiers/printers over some years [4]. Such methods come in
This talk is about a method for solving the numerical initial value problem of the time-dependent Schrodinger equation with a Hamiltonian which may depend on time. It is only for time independent Hamiltonians that I was able to describe the accuracy and stability properties in the form of proven theorems. All practical experience shows, that the time-dependent case behaves equally well. In this method, the Hamiltonian comes in only as a hermitian linear operator and not as a mathematical expression that can be reordered or otherwise transformed in order to speed up the necessary calculations. In all cases where it is a feasible computational task to apply the Hamilton operator to a generic state vector, my suggestion is to try this method as a workhorse. It can be considered a ‘Simpson’s rule’ for quantum dynamics. There is no way for me to explain the matter from a technical point of view in 10 minutes, so I’ll try to convey the basic idea of the method. This idea is to treat quantum dynamics in closer analogy to classical dynamics as one usually does. One may argue, that there is a fundamental difference between classical and quantum dynamics since the Schrodinger equation is first order with respect to the time derivative, whereas classical mechanics is inherently second order, since forces determine accelerations and not velocities. This is not so clear a distinction as one might think, since also classical mechanics can be given the first-order form of canonical equations. I propose the opposite of such an approach, namely to give quantum dynamics a second-order form by simply differentiating the time-dependent Schrodinger equation with respect to time. To be sure, this is only a heuristic device for defining a computationally feasible approximation and not a proposal to change quantum mechanics. For the resulting equation for the second time derivative of the wave function, I then carry over and use the integration methods from the field of granular matter dynamics which I have been using in an industrial project concerning simulation of the toning process in electro-photographic copiers/printers over some years [4]. Such methods come in
The Schrödinger equation iℏ ∂ₜψ = Ĥψ, with non‑relativistic Hamiltonian Ĥ = ℏ²|p̂|²/(2m) + V(x̂), has been quantum mechanics’s central dynamical statement for nearly a century. It governs atomic spectra, molecular bonding, semiconductors, neutron interferometry, and countless other empirical settings. The question is why it has the form it does. In standard QM, the Schrödinger equation is a postulate. The Hilbert space is given. The momentum operator p̂ = −iℏ∇ is given. The kinetic form |p̂|²/(2m) is inherited directly from classical mechanics — quantum theory simply adopts the classical T = p²/(2m) structure without deeper justification. The first‑order time derivative is chosen because empirically it works. Each piece is accepted because the resulting equation matches experiment. This walkthrough shows how the Event Density framework derives the Schrödinger equation, in its full standard form, from a smaller set of structural commitments about what reality is made of at the substrate level. Every element — the Hilbert space, the momentum operator, linearity, first‑order time structure, the kinetic‑plus‑potential form, the factor of 1/(2m) — emerges as a forced consequence rather than a separate postulate. The derivation runs through Stone’s theorem applied twice — once on spatial translation (forcing p̂ = −iℏ∇) and once on time translation (forcing existence and uniqueness of a self‑adjoint generator with automatic linearity and first‑order structure) — closed by Galilean Lie algebra integration that identifies the time‑translation generator with the kinetic‑plus‑potential operator. The factor of 1/(2m) emerges as the chain‑rule Jacobian of the Galilean commutator [Ĥ, K̂ᵢ] = −iℏ p̂ᵢ, not as a borrowing from classical mechanics. The first‑order time derivative is a consequence of operator exponentials, not a chosen feature.
In (1), it is suggested that one may obtain the Schrodinger equation by using Hamilton’s equations as a starting point, i.e dp/dt = - dH/dq and dq/dt = dH/dp. (1) defines new variables phi(x,t) = ap+ibq and phi*(x,t) and writes: iC dphi/dt partial = {phi, H} and iC dphi*/dt partial ={ phi*, H}, where {} are the Poisson brackets. (1) then changes phi(x,t) into a stochastic variable which still follows these Hamilton-like relations iC dphi/dt = Integral dx H1(x1,x) phi(x) + b(x,t) where H= Integral dx1dx H1 phi*(x1)phi(x) and b(x,t is a random function. In other words, Hamilton’s theory with an added stochastic b(x,t) is applied to a stochastic variable in order to obtain the Schrodinger equation. The catch, however, is that (1) introduces a number of conditions and assumptions to simplify the problem and actually obtains iC dphi/dt = Integral dx H1(x1,x)phi(x) with b(x,t) gone. We suggest that this implies that one may apply the Hamilton-like form directly to a stochastic variable without b(x,t) present. To strengthen this argument, one may consider a bound state in which b(x,t) may be said to average to 0. Basically, the idea of (1) seems to be that quantum mechanics follows from introducing stochastic physics linked to usual Newtonian trajectory physics, in this case Hamilton’s theory. We argue that this is very similar to the classical action approach we used in (2) to obtain exp(-iEt+ipx) from the classical free particle action applied to stochastic motion and so we compare the two approaches.
This chapter focuses on the time-dependent Schrödinger equation and its solutions for several prototype systems. It provides the basis for discussing and understanding quantum dynamics in condensed phases, however, a full picture can be obtained only by including also dynamical processes that destroy the quantum mechanical phase. Such a full description of quantum dynamics cannot be handled by the Schrödinger equation alone; a more general approach based on the quantum Liouville equation is needed. This important part of the theory of quantum dynamics is discussed in Chapter 10. Given a system characterized by a Hamiltonian Ĥ , the time-dependent Schrödinger equation is For a closed, isolated system Ĥ is time independent; time dependence in the Hamiltonian enters via effect of time-dependent external forces. Here we focus on the earlier case. Equation (1) is a first-order linear differential equation that can be solved as an initial value problem.
This paper focuses on the principle of time dependent Schrodinger equation (TDSE) which simplified so many reviewed ideas, class room teaching, research ideologies and personal study meant for advanced knowledge. In this research work, the enlightenment of the basic concept of Schrodinger wave equation to improve knowledge about simple ways for mathematical understanding in deriving TDSE using different technique in more comprehensive approach. The research shows clearly that TDSE can be derived using time independent equation, wave mechanics, classical & Hamilton-Jacobi’s equations. Different methods and ways by different researchers/scholars have been used in the past. In this paper, we review the quantum field theoretic route to the Schrodinger wave equation which treats time and space as parameters, not operators. Furthermore, we recall that a classical (nonlinear) wave equation can be derived from the classical action via Hamiltonian-Jacobi theory. By requiring the wave equation to be linear we again arrive at the Schrodinger equation, without postulating operator relations. The underlying philosophy is operational. Surely, a particle is what a particle detector detects. This leads us to a useful physical picture combining the wave (field) and particle paradigms which points the way to the time-dependent Schrodinger equation. However, the result provides a comprehensive well derived derivation, derived using various approaches, which would make this research a unique one from different areas of specializations.
Explicitly time-dependent Hamiltonians are ubiquitous in applications of quantum theory. It is therefore necessary to solve the time-dependent Schrödinger equation directly. The system’s dynamics is associated with a unitary time-evolution operator (a propagator), formally given as an infinite Dyson series. Time-dependent observables are invariant under unitary time-dependent transformations, where it is sometimes useful to transform the time-evolution from the states into the corresponding operators. This is carried out in part (in full) by transforming to the interaction (Heisenberg) picture. The corresponding equations of motion for the time-dependent operators are introduced. For quadratic potential energy functions, the time evolution of quantum expectation values coincides with the corresponding classical dynamics. This is demonstrated and analyzed in detail for Gaussian wave packets and a coherent state. Finally, we derive exact and approximate expressions for time-dependent transition probabilities and transition rates between quantum states. The validity of time-dependent perturbation theory is analyzed by comparison to exact dynamics.
In this paper we establish three variational principles that provide new foundations for Nelson’s stochastic mechanics in the case of nonrelativistic particles without spin. The resulting variational picture is much richer and of a different nature with respect to the one previously considered in the literature. We first develop two stochastic variational principles whose Hamilton–Jacobi-like equations are precisely the two coupled partial differential equations that are obtained from the Schrödinger equation (Madelung equations). The two problems are zero-sum, noncooperative, stochastic differential games that are familiar in the control theory literature. They are solved here by means of a new, absolutely elementary method based on Lagrange functionals. For both games the saddle-point equilibrium solution is given by the Nelson’s process and the optimal controls for the two competing players are precisely Nelson’s current velocity v and osmotic velocity u, respectively. The first variational principle includes as special cases both the Guerra–Morato variational principle [Phys. Rev. D 27, 1774 (1983)] and Schrödinger original variational derivation of the time-independent equation. It also reduces to the classical least action principle when the intensity of the underlying noise tends to zero. It appears as a saddle-point action principle. In the second variational principle the action is simply the difference between the initial and final configurational entropy. It is therefore a saddle-point entropy production principle. From the variational principles it follows, in particular, that both v(x,t) and u(x,t) are gradients of appropriate principal functions. In the variational principles, the role of the background noise has the intuitive meaning of attempting to contrast the more classical mechanical features of the system by trying to maximize the action in the first principle and by trying to increase the entropy in the second. Combining the two variational principles, we get the quantum Hamilton principle, i.e., a variational characterization of the logarithm of the wave function ψ. The Lagrangian is the Lagrangian of classical mechanics with the complex-valued velocity v−iu replacing the classical velocity. The dynamics is given by a stochastic differential equation for real-valued diffusions with complex-valued drift and driving noise processes. From the variational principle we derive a Newton-type law. We finally define the momentum process and show that its mean and variance coincide with those of the quantum momentum operator.