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arXiv:2203.08755

Nuclear Magnetic Resonance for Arbitrary Spin Values in the Rotating Wave Approximation

Zhichen Liu, Sunghyun Kim, Richard A. Klemm

Published Mar 16, 2022• 1 citation
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Abstract

In order to probe the transitions of a nuclear spin $s$ from one of its substate quantum numbers $m$ to another substate $m'$, the experimenter applies a magnetic field ${\bm B}_0$ in some particular direction, such along $\hat{\bm z}$, and then applies an weaker field ${\bm B}_1(t)$ that is oscillatory in time with the angular frequency $ω$, and is normally perpendicular to ${\bm B}_0$, such as ${\bm B}_1(t)=B_1\hat{\bm x}\cos(ωt)$. In the rotating wave approximation, ${\bm B}_1(t)=B_1[\hat{\bm x}\cos(ωt)+\hat{\bm y}\sin(ωt)]$. Although this problem is solved for spin $\frac{1}{2}$ in every quantum mechanics textbook, for the general spin $s$ case, its general solution has been published only for the overall probability of a transition between the states, but the time dependence of the probability of finding the nucleus in each of the substates has not previously been published. Here we present an elementary method to solve this problem exactly, and present figures for the time dependencies of the various substates states for a variety of initial substate probabilities for a variety of $s$ values. We found a new result: unlike the $s=\frac{1}{2}$ case, for which if the initial probability of finding the particle in one of the substates was 1, and the time dependence of the probabilities of each of the substates oscillates between 0 and 1, for higher spin values, the time dependencies of the probabilities finding the particle in each of its substates, which periodic, is considerably more complicated.

DOI
10.48550/arxiv.2203.08755

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In order to probe the transitions of a nuclear spin sss from one of its substate quantum numbers mmm to another substate m′m'm′, the experimenter applies a magnetic field B0{\bm B}_0B0​ in some particular direction, such along z^\hat{\bm z}z^, and then applies an weaker field B1(t){\bm B}_1(t)B1​(t) that is oscillatory in time with the angular frequency ωωω, and is normally perpendicular to B0{\bm B}_0B0​, such as B1(t)=B1x^cos⁡(ωt){\bm B}_1(t)=B_1\hat{\bm x}\cos(ωt)B1​(t)=B1​x^cos(ωt). In the rotating wave approximation, B1(t)=B1[x^cos⁡(ωt)+y^sin⁡(ωt)]{\bm B}_1(t)=B_1[\hat{\bm x}\cos(ωt)+\hat{\bm y}\sin(ωt)]B1​(t)=B1​[x^cos(ωt)+y^​sin(ωt)]. Although this problem is solved for spin 12\frac{1}{2}21​ in every quantum mechanics textbook, for the general spin sss case, its general solution has been published only for the overall probability of a transition between the states, but the time dependence of the probability of finding the nucleus in each of the substates has not previously been published. Here we present an elementary method to solve this problem exactly, and present figures for the time dependencies of the various substates states for a variety of initial substate probabilities for a variety of sss values. We found a new result: unlike the s=12s=\frac{1}{2}s=21​ case, for which if the initial probability of finding the particle in one of the substates was 1, and the time dependence of the probabilities of each of the substates oscillates between 0 and 1, for higher spin values, the time dependencies of the probabilities finding the particle in each of its substates, which periodic, is considerably more complicated.
The solution of the time-dependent wave equation describing the interaction of two coupled spins with a rotating magnetic field in the presence of a steady field, as in the usual magnetic resonance situation, has been reexamined. By extending the method previously developed by Salwen, an exact expression is derived for all components of the wave function describing a three-state system under magnetic-resonance conditions. This solution describes in analytical form all the single and multiple resonances of which the system is capable for fields of any intensity. It is shown that when zzz is the axis of quantization, the projection of the wave function on an eigenstate of Fx{F}_{x}Fx​ oscillates at twice the resonance frequency at exact double quantum resonance. An approximate form is derived for the transition probability near double quantum resonance, showing that our solution is consistent with Salwen's in the limit of well-separated single and double quantum resonances. The theory is applied to the uppermost three substates of the upper hyperfine multiplet of an alkali metal of arbitrary nuclear spin, a case of interest to the analysis of magnetic resonance in optically pumped vapors.
The time-dependent Schr\"odinger equation is solved formally for an atomic or molecular system which is subjected simultaneously to a rotating magnetic field of constant amplitude and angular velocity and to a constant magnetic field along the axis of rotation. The method yields the transition probabilities in terms of the solutions to an eigenvalue problem. This eigenvalue problem is solved both for (a) a normal Zeeman effect and for (b) the case where a transition from a given level is isolated in frequency from other transitions from the same level. Case (a) is exactly soluble and yields a solution which is shown to be the same as that of Bloch and Rabi, but is in a form which is more convenient for integration over the velocity distribution. Case (b) must be solved by an approximate method which results in a prediction of multiple quantum transitions as observed by Kusch.
The time evolution of a spin precessing in a large static field with a perpendicular rotating field is a classic problem in magnetic resonance that appears in nearly all quantum textbooks. It can be solved exactly by going to the rotating frame. Often, however, the final transition probabilities are determined only for the spin 1/2 case. In this work, we show how an operator-based approach naturally produces a time-ordered product via a Trotter product formula and then by employing simple operator identities such as the Hadamard lemma, the Baker–Campbell–Hausdorff formula, and the exponential disentangling identity, the problem can be directly solved for arbitrary spin.
Quantization of spin and orbital angular momenta in standard quantum mechanics is rooted in the fundamental rotational symmetry of space in conjunction with the results of experiments on atomic and subatomic particles conducted with the Stern-Gerlach apparatus. We explain some of the most important features of spin and orbital angular momenta as inescapable consequences of elementary Stern-Gerlach experiments viewed in light of the rotational symmetry of space. The rotation operator is first derived for spin-½ particles, then extended to spin-1 particles by treating the case of a hydrogen atom in its ground state, where the spin of the proton combines with that of the electron to create a spin-1 triplet state. Along the way, we examine the evolution of a particle’s spin state under an applied magnetic field, where the interaction energy arises from the existence of a magnetic dipole moment for each particle in proportion to its spin angular momentum. Whereas a constant magnetic field B0 causes the particle’s magnetic moment to gyrate around the direction of B0, it will be seen that the presence of a small oscillating magnetic field perpendicular to B0 brings about the so-called Rabi oscillations, which involve periodic flippings of the particle’s spin orientation. In the case of a hydrogen atom in its ground state, the interaction between the magnetic dipole moments of the proton and the electron splits the ground state between a lower energy singlet having a net angular momentum of zero (spin-0 state), and a higher energy triplet having a total angular momentum of ħ (spin-1 state). This hyperfine splitting is the source of the well-known 21-cm line observed in the spectrum of the hydrogen atom, which arises from transitions between the atom’s singlet and triplet states. In the final section, we put forward an argument (originally made by Richard Feynman) that ties the rotational symmetry of space to the conservation of angular momentum in quantum mechanics. The argument is, in fact, quite general, enabling one to deduce other conservation laws from various inherent symmetries of quantum mechanical systems.