Understanding Atomic Units for Beginner Mathematicians

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SUMMARY

This discussion centers on the use of atomic units in programming, particularly for a mathematician unfamiliar with physics concepts. Atomic units, such as those for h_bar, length, time, temperature, and energy, are defined in relation to fundamental constants, making them seem abstract and unintuitive. The conversation highlights the specific formula for temperature in atomic units, T_A = {m_e e^4} / {\hbar^2 (4 \pi \epsilon_0)^2 k_B}, and emphasizes that these units are not unitless but rather derived from physical constants. The participants suggest that understanding atomic units can simplify calculations in certain contexts, despite initial confusion.

PREREQUISITES
  • Understanding of fundamental physical constants (e.g., m_e, e, h_bar, k_B)
  • Basic knowledge of unit conversion and dimensional analysis
  • Familiarity with programming concepts for implementing physical calculations
  • Awareness of different unit systems, including atomic and natural units
NEXT STEPS
  • Research the derivation and significance of atomic units in physics
  • Learn how to convert between atomic units and standard SI units
  • Explore the implications of using atomic units in computational physics
  • Study the relationship between temperature and energy in atomic units
USEFUL FOR

This discussion is beneficial for mathematicians transitioning into physics, programmers developing simulations involving physical constants, and anyone seeking to understand the practical applications of atomic units in scientific computing.

brydustin
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Hi, I know nearly nothing about physics, I'm a mathematician working on a computer program.
Anyway, I have to write a program and my boss suggested that I use atomic units and that at the end of the program I can "scale up" to natural units if desired. I tried to read up on these units, but they intuitively make no sense they just seem artificial and I don't know how to handle it. For example, what are the atomic units for:
h_bar, length, time, temperature, and energy.
And do they really have "units" attached or are the unitless numbers -- I read somewhere that physicists do this to also blur the lines between time and lenght... all seems strange to me, any help, please!
 
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Why can't you just use the standard units for all that? Meter, kelvin, joule, ETC.
 
Drakkith said:
Why can't you just use the standard units for all that? Meter, kelvin, joule, ETC.

Yeah, that's what I thought too. Apparently, my boss just wants me to use atomic units.
 
brydustin said:
Yeah, that's what I thought too. Apparently, my boss just wants me to use atomic units.

Hrmm. Have you asked him why he wants you to do this? Would it somehow be easier in the long run?
 
qsa said:

Well, for example, how would you define a Kelvin temperature in atomic units?
For example, what would the room temperature be in atomic units. Of course, I've already seen this wikipedia article; but it means nothing to me.

To say that temperature is defined as:

T_A = {m_e e^4} / {\hbar^2 (4 \pi \epsilon_0)^2 k_B}

means a lot of nothing to me,because I don't see how the temperature can change if all the values in the equation are 1 anyway.
 
brydustin said:
...

To say that temperature is defined as:

T_A = {m_e e^4} / {\hbar^2 (4 \pi \epsilon_0)^2 k_B}

means a lot of nothing to me,because I don't see how the temperature can change if all the values in the equation are 1 anyway.

That's how the temperature UNIT is defined in (Hartree) atomic units. So it is not supposed to change.

Hopefully someone else will jump in who is more used to Atomic Units. (I am more familiar with Planck Units). But in case no one immediately offers to help you, I will suggest that you can make it mean something to you, if you try. In all these systems of nature-based units the unit of temperature is simply equal to the unit of energy divided by the Boltzmann kB

So if you want to know in METRIC what is the atomicunit of energy, take what they say for the temp unit (in wikiped they give a Kelvin value) and multiply the metric value for the temp unit times the metric value of kB.


You could also look at what you wrote for the atomicunit of temperature, and multiply it by kB and that will give the atomicunit of energy, EA

EA = {m_e e^4} / {\hbar^2 (4 \pi \epsilon_0)^2 }

Now I guess you could look at that and try to make sense of it as a unit of energy.

It looks to me like it might be the electron mass multiplied by the speed of light squared or some such thing.
 
brydustin said:
Well, for example, how would you define a Kelvin temperature in atomic units?
For example, what would the room temperature be in atomic units. Of course, I've already seen this wikipedia article; but it means nothing to me.

To say that temperature is defined as:

T_A = {m_e e^4} / {\hbar^2 (4 \pi \epsilon_0)^2 k_B}

means a lot of nothing to me,because I don't see how the temperature can change if all the values in the equation are 1 anyway.

from the table in the link, kelvin =1/3.1577e5 atomic unit of temp
 

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