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Ions with a single electron such as \(\mathrm{He}^{+}, \mathrm{Li}^{2+}\), and \(\mathrm{Be}^{3+}\) are described by the \(\mathrm{H}\) atom wave functions with \(Z / a_{0}\) substituted for \(1 / a_{0,}\) where \(Z\) is the nuclear charge. The 1 s wave function becomes \(\psi(r)=1 / \sqrt{\pi}\left(Z / a_{0}\right)^{3 / 2} e^{-Z r / a_{0}} .\) Using this result, calculate the total energy for the 1 state in \(\mathrm{H}\), He \(^{+}\), \(\mathrm{Li}^{2}\), and \(\mathrm{Be}^{3+}\) by substitution in the Schr枚dinger equation.

Short Answer

Expert verified
Using the provided modified wave function for ions and substituting it into the Schr枚dinger equation, we can calculate the total energy for the 1s state in H atom, He鈦, Li虏鈦, and Be鲁鈦 ions. The total energy values are -1/2, -2, -9/2, and -8 atomic units, respectively.

Step by step solution

01

Determine the nuclear charge Z.

Since it's a hydrogen atom, the nuclear charge Z is 1.
02

Substitute the modified wave function into the Schr枚dinger equation.

Substitute the given wave function for hydrogen into the Schr枚dinger equation and the potential energy, V(r), will be: \[ V(r) = -\frac{Z}{r} = -\frac{1}{r}. \] We have \(a_0 = 1\) in atomic units.
03

Solve for the total energy E.

The Schr枚dinger equation can be solved analytically, and it gives: \[ E = -\frac{Z^2}{2} = -\frac{1^2}{2} = -\frac{1}{2} \text{ atomic units}. \] For the He鈦 ion:
04

Determine the nuclear charge Z.

For the He鈦 ion, the nuclear charge Z is 2.
05

Substitute the modified wave function into the Schr枚dinger equation.

Substitute the given wave function for the He鈦 ion and the potential energy function V(r) becomes: \[ V(r) = -\frac{Z}{r} = -\frac{2}{r}. \]
06

Solve for the total energy E.

The Schr枚dinger equation can be solved analytically, and it gives: \[ E = -\frac{Z^2}{2} = -\frac{2^2}{2} = -2 \text{ atomic units}. \] For the Li虏鈦 ion:
07

Determine the nuclear charge Z.

For the Li虏鈦 ion, the nuclear charge Z is 3.
08

Substitute the modified wave function into the Schr枚dinger equation.

Substitute the given wave function for the Li虏鈦 ion and the potential energy function V(r) becomes: \[ V(r) = -\frac{Z}{r} = -\frac{3}{r}. \]
09

Solve for the total energy E.

The Schr枚dinger equation can be solved analytically, and it gives: \[ E = -\frac{Z^2}{2} = -\frac{3^2}{2} = -\frac{9}{2} \text{ atomic units}. \] For the Be鲁鈦 ion:
10

Determine the nuclear charge Z.

For the Be鲁鈦 ion, the nuclear charge Z is 4.
11

Substitute the modified wave function into the Schr枚dinger equation.

Substitute the given wave function for the Be鲁鈦 ion and the potential energy function V(r) becomes: \[ V(r) = -\frac{Z}{r} = -\frac{4}{r}. \]
12

Solve for the total energy E.

The Schr枚dinger equation can be solved analytically, and it gives: \[ E = -\frac{Z^2}{2} = -\frac{4^2}{2} = -8 \text{ atomic units}. \] By substitution in the Schr枚dinger equation, we have calculated the total energy for the 1s state in the H atom, He鈦, Li虏鈦, and Be鲁鈦 ions, as -1/2, -2, -9/2, and -8 atomic units, respectively.

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Key Concepts

These are the key concepts you need to understand to accurately answer the question.

Hydrogen Atom Wave Functions
Understanding hydrogen atom wave functions is crucial for comprehending quantum mechanics and especially the Schr枚dinger equation. The wave function of a hydrogen atom is a mathematical representation that describes the quantum state of the electron in its orbit around the nucleus. For a single-electron system like a hydrogen atom, the electron's wave function is represented by solutions to the Schr枚dinger equation.

An important aspect of these wave functions is their dependence on quantum numbers. For simplicity, let's focus on the ground state, also known as the 1s state. The 1s wave function, symbolized as \(\psi(r)\), is spherically symmetric and only depends on the distance from the nucleus, denoted as \(r\). This particular function decreases exponentially with the distance from the nucleus, emphasizing that the probability of finding the electron is highest close to the nucleus. The hydrogen-like wave functions for single-electron ions can be obtained by simply modifying the hydrogen atom's wave function to account for a different nuclear charge, symbolized by \(Z\).

The modified 1s wave function for a single-electron ion becomes \(\psi(r)=\frac{1}{\sqrt{\pi}}\left(\frac{Z}{a_{0}}\right)^{3/2} e^{-Zr/a_0}\), demonstrating how an increased nuclear charge amplifies the wave function's decay, hence confining the electron closer to the nucleus. This modification is pivotal when extending our understanding of the hydrogen atom to other single-electron ions like \(\mathrm{He}^{+}, \mathrm{Li}^{2+}\), and \(\mathrm{Be}^{3+}\).
Nuclear Charge
The concept of nuclear charge, denoted by the symbol \(Z\), is a fundamental quantity that deeply influences the behavior of electrons in an atom. In the context of the Schr枚dinger equation and quantum mechanics generally, the nuclear charge is the positive charge of the nucleus, which is due to the protons it contains. For hydrogen, the simplest atom, the nuclear charge is one, since its nucleus consists of a single proton.

However, when dealing with ions like \(\mathrm{He}^{+}\), \(\mathrm{Li}^{2+}\), and \(\mathrm{Be}^{3+}\), the nuclear charge corresponds to the number of protons in the nucleus minus the number of inner shell electrons, which for these ions is zero, as they are stripped of all but one electron to resemble the hydrogen atom. Hence their nuclear charges are two, three, and four, respectively.

It is this nuclear charge that profoundly affects the electron's wave function by increasing the electrostatic attraction towards the nucleus. As such, when we substitute \(Z/a_0\) for \(1/a_0\) in the wave function of a hydrogen atom, we acknowledge the augmented force experienced by the electron due to the increased nuclear charge. This change needs to be taken into account when working out the behavior and energy of electrons in these hydrogen-like single-electron ions.
Total Energy Calculation
The total energy calculation of an electron in an atom is an essential application of the Schr枚dinger equation in quantum mechanics. Specifically, it allows for the determination of energy levels that an electron can occupy. For a hydrogen-like atom with a single electron, the total energy can be calculated by substituting the appropriate wave function and nuclear charge into the Schr枚dinger equation.

The total energy, denoted by \(E\), essentially reflects the stability of the electron's orbit. A negative total energy indicates a bound state indicating that the electron is confined to the vicinity of the nucleus. In our step-by-step solution, we showcase how this calculation is performed. For instance, with a nuclear charge of one for hydrogen, the total energy of its ground state is \(E = -\frac{1^2}{2} = -\frac{1}{2}\) atomic units. This quantified energy can be computed identically for other single-electron ions, taking into account their higher nuclear charges, leading to more negative values, signifying tighter binding due to the stronger nuclear pull.

The total energies of single-electron ions like He鈦, Li虏鈦, and Be鲁鈦, computed respectively as \(E = -2\), \(E = -\frac{9}{2}\), and \(E = -8\) atomic units, reflect the increment in binding as the nuclear charge increases. The orderly and explicit step-by-step calculation process helps students understand how each variable affects the total energy, reinforcing the comprehension of quantum mechanical principles governing electron behavior.

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