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Hamiltonian (quantum mechanics)

Hamiltonian (quantum mechanics) is a physics topic covered in the lgStudy science library. This page brings together a partial reference excerpt, illustrations, worked examples, real-world applications and a short study plan, so you can understand Hamiltonian (quantum mechanics) rather than just read about it. In short: In quantum mechanics, the Hamiltonian of a system is an operator corresponding to the total energy of that system, including both kinetic energy and potential energy. Its spectrum, the system's energy spectrum or its set of energy eigenvalues, is the set of possible outcomes obtainable from a measurement of the system's total energy.

Key takeaways

  • Hamiltonian (quantum mechanics) belongs to physics; place it in that map before memorising details.
  • Learn the definition first, then one example that makes the definition concrete.
  • Connect Hamiltonian (quantum mechanics) to a quantity you can measure, compute or draw — that is where exam questions come from.
  • Reproduce the core statement of Hamiltonian (quantum mechanics) from memory before moving on to harder problems.

Reference excerpt

In quantum mechanics, the Hamiltonian of a system is an operator corresponding to the total energy of that system, including both kinetic energy and potential energy. Its spectrum, the system's energy spectrum or its set of energy eigenvalues, is the set of possible outcomes obtainable from a measurement of the system's total energy. Due to its close relation to the energy spectrum and time-evolution of a system, it is of fundamental importance in most formulations of quantum theory. The Hamiltonian is named after William Rowan Hamilton, who developed a revolutionary reformulation of Newtonian mechanics, known as Hamiltonian mechanics, which was historically important to the development of quantum physics. Similar to vector notation, it is typically denoted by H ^ {\displaystyle {\hat {H}}} , where the hat indicates that it is an operator. It can also be written as H {\displaystyle H} or H ˇ {\displaystyle {\check {H}}} .

Introduction

The Hamiltonian of a system represents the total energy of the system; that is, the sum of the kinetic and potential energies of all particles associated with the system. The Hamiltonian takes different forms and can be simplified in some cases by taking into account the concrete characteristics of the system under analysis, such as single or several particles in the system, interaction between particles, kind of potential energy, time varying potential or time independent one.

Schrödinger Hamiltonian

One particle By analogy with classical mechanics, the Hamiltonian is commonly expressed as the sum of operators corresponding to the kinetic and potential energies of a system in the form

H ^ = T ^ + V ^ , {\displaystyle {\hat {H}}={\hat {T}}+{\hat {V}},}

where

V ^ = V = V ( r , t ) , {\displaystyle {\hat {V}}=V=V(\mathbf {r} ,t),}

is the potential energy operator and

T ^ = p ^ ⋅ p ^ 2 m = p ^ 2 2 m = − ℏ 2 2 m ∇ 2 , {\displaystyle {\hat {T}}={\frac {\mathbf {\hat {p}} \cdot \mathbf {\hat {p}} }{2m}}={\frac {{\hat {p}}^{2}}{2m}}=-{\frac {\hbar ^{2}}{2m}}\nabla ^{2},}

is the kinetic energy operator in which m {\displaystyle m} is the mass of the particle, the dot denotes the dot product of vectors, and

p ^ = − i ℏ ∇ , {\displaystyle {\hat {p}}=-i\hbar \nabla ,}

is the momentum operator where a ∇ {\displaystyle \nabla } is the del operator. The dot product of ∇ {\displaystyle \nabla } with itself is the Laplacian ∇ 2 {\displaystyle \nabla ^{2}} . In three dimensions using Cartesian coordinates the Laplace operator is

∇ 2 = ∂ 2 ∂ x 2 + ∂ 2 ∂ y 2 + ∂ 2 ∂ z 2 {\displaystyle \nabla ^{2}={\frac {\partial ^{2}}{{\partial x}^{2}}}+{\frac {\partial ^{2}}{{\partial y}^{2}}}+{\frac {\partial ^{2}}{{\partial z}^{2}}}}

Although this is not the technical definition of the Hamiltonian in classical mechanics, it is the form it most commonly takes. Combining these yields the form used in the Schrödinger equation:

… excerpt ends here. Continue reading the full article.

Worked examples

Example 1 — a first encounter with Hamiltonian (quantum mechanics)

Start with the simplest possible case. Write down what Hamiltonian (quantum mechanics) claims or describes in one sentence, then invent the smallest concrete situation in which that sentence is true. In physics, the smallest case is usually a single object, a single equation or a single measurement. Check that every symbol or term in your sentence has a meaning in that case.

Example 2 — changing one variable

Take the situation from Example 1 and change exactly one quantity: double it, halve it, or set it to zero. Predict what should happen to Hamiltonian (quantum mechanics) before you calculate. Comparing your prediction with the result is the fastest way to find out whether you understand the idea or only the words.

Example 3 — an exam-style question

Typical questions about Hamiltonian (quantum mechanics) ask you to (a) state it precisely, (b) apply it to given data, and (c) explain a limitation. Practise writing all three answers in under five minutes; the third part is what separates a full-mark answer from an average one.

Applications of Hamiltonian (quantum mechanics)

In research
Hamiltonian (quantum mechanics) appears in physics research whenever the underlying quantities have to be modelled precisely. Papers usually cite it as a starting assumption and then explore where it breaks down.
In technology and industry
Engineering practice reuses Hamiltonian (quantum mechanics) in design rules, simulations and safety margins. Knowing the idea lets you read a specification sheet and understand why the numbers look the way they do.
In the classroom
Hamiltonian (quantum mechanics) is common in secondary-school and first-year university syllabi. It links to neighbouring topics Computational chemistry, Hamiltonian mechanics, Quantum chemistry, so understanding it makes those chapters shorter.
In everyday life
Look for Hamiltonian (quantum mechanics) outside the textbook — in sport, cooking, traffic, electronics or the sky above you. An example you found yourself is remembered far longer than one you were given.
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How to study Hamiltonian (quantum mechanics) in 20 minutes

  1. Read the reference excerpt below once, without taking notes.
  2. Close the page and write down what Hamiltonian (quantum mechanics) means in your own words.
  3. Compare your version with the excerpt and mark what you missed.
  4. Work through the three examples above with pen and paper.
  5. Explain Hamiltonian (quantum mechanics) out loud to somebody else — or to Teacher Smith in the lgStudy chat.

Frequently asked questions

What is Hamiltonian (quantum mechanics) in simple terms?

In quantum mechanics, the Hamiltonian of a system is an operator corresponding to the total energy of that system, including both kinetic energy and potential energy. Its spectrum, the system's energy spectrum or its set of energy eigenvalues, is the set of possible outcomes obtainable from a measu…

Why does Hamiltonian (quantum mechanics) matter?

Because it connects several physics ideas at once: it gives you a definition you can apply, a quantity you can calculate, and a way to check whether a result is plausible.

How should I study Hamiltonian (quantum mechanics)?

Read the excerpt, restate it from memory, then work through the examples and applications listed on this page. The five-step study plan above takes about twenty minutes.

What does this page cover?

It gives you a compact reference excerpt plus original lgStudy explanations, examples, applications and study material on Hamiltonian (quantum mechanics).

Tags

  • Computational chemistry
  • Hamiltonian mechanics
  • Quantum chemistry
  • Quantum operators
  • Theoretical chemistry
  • William Rowan Hamilton

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