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54
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5answers
9k views

What does it mean for two objects to “touch”?

If you've ever been annoyingly poked by a geek, you might be familiar with the semi-nerdy obnoxious response of "I'm not actually touching you! The electrons in the atoms of my skin are just ...
9
votes
4answers
1k views

Does it exist a free good molecule / atom simulation software?

I'm looking for a software or software package (for example C/C++) that can simulate a lot (say thousands at least) of molecules in action (ie. in movement or attached to say static walls). I have ...
8
votes
3answers
316 views

What is the microscopic picture for warm air rising?

The usual explanation for warm fluids rising past cooler ones is that the warmer fluid has a lower density. I'm trying to understand what this looks like at a molecular scale. The density seems to ...
7
votes
2answers
2k views

How to construct the Hamiltonian matrix?

I'm trying to understand if there's a more systematic approach to build the matrix associated with the Hamiltonian in a quantum system of finite dimension. For example, I know that for the ammonia ...
7
votes
1answer
190 views

Are Born-Oppenheimer energies analytic functions of nuclear positions?

I am looking for references to bibliography that explores the smoothness and analyticity of eigenvalues and eigenfunctions (and matrix elements in general) of a hamiltonian that depends on some ...
7
votes
2answers
551 views

What is the “direction” of the transition dipole moment? (Understanding Eq. 9.29, Charge and Energy Transfer 3rd Ed, May & Kuhn)

For a real vector $\mathbf{r}$, the direction is given by: $\hat{\mathbf{n}}=\mathbf{r}/\left|\mathbf{r}\right|$. The transition dipole moment is a complex vector. How do you define its direction? ...
6
votes
4answers
476 views

Can a single molecule have a temperature?

A show on the weather channel said that as a water molecule ascends in the atmosphere it cools. Does it make sense to talk about the temperature of a single molecule?
6
votes
1answer
1k views

What happens when you shake a can of soda?

Of course the CO2 comes out of the liquid, and it will even build up a lot of pressure if needed. The question is what happens at a molecular level to cause it to leave the liquid?
6
votes
1answer
306 views

Gas kinetic representation of trans-critical conditions

From a molecular point of view, can we think of the super-critical conditions as conditions where T and p are large enough that the collisions of gas molecules are frequent and powerful enough to ...
6
votes
3answers
148 views

Can we detect whether food has previously been heated in a microwave oven?

An acquaintance told me that she refuses to eat microwaved food because she read that the microwave changes the molecules of the food somehow. Her statement is vague and her sources are dubious but I ...
5
votes
1answer
417 views

Why does a breeze of wind make us feel cooler? [duplicate]

In my Astronomy class, I learned that temperature results from the speed of air molecules colliding into your skin. Thus, if the air molecules in the room have a high kinetic energy and thus collide ...
5
votes
3answers
433 views

Does gas spread out equally everywhere?

An excerpt from this page: Gases can fill a container of any size or shape. It doesn't even matter how big the container is. The molecules still spread out to fill the whole space equally. That is ...
5
votes
1answer
574 views

How the bond angle of a water molecule is measured?

How the angle of a water molecule is measured? The bond angle for water was first determined by vibrational and rotational analysis of its infrared absorption spectra. How is bond angle extracted?
4
votes
2answers
84 views

Why is it energetically favourable for molecular bonds to form from a QM point of view?

For example, if you have two hydrogen atoms and an oxygen atom, they are all electrically neutral and don't attract each other. But then if they manage to get "close enough" somehow they snap together ...
4
votes
3answers
586 views

Is photon emission possible without electrons changing energy levels?

Does molecular vibrational transition and consequent emission of infrared radiation involve electrons changing energy level? In wikipedia, about vibronic transitions it says "Most processes leading to ...
3
votes
3answers
486 views

Why is quantum physics needed to explain photosynthesis?

Why is quantum physics needed to explain photosynthesis? In what aspect does the corresponding classical theories for photosynthesis fail?
3
votes
2answers
120 views

Time-dependence in LCAO

I would like to study time-dependence (TD) in linear combinations of atomic orbitals (LCAO). The Hückel method enables quick and dirty determination of MOs for suitable systems (view link for ...
3
votes
4answers
126 views

Molecule vs Crystal

Feynman mentions in his lectures: ...the concept of a molecule of a substance is only approximate and exists only for a certain class of substances. It is clear in the case of water that the ...
3
votes
1answer
93 views

For how long must a molecule remain stable to be considered “stable”?

In the Star Trek: Voyager episode The Omega Directive, Seven of Nine says that the Borg synthesized a molecule which was "kept [] stable for one trillionth of a nanosecond before it destabilized". ...
3
votes
3answers
103 views

water in vacuum(or space) and temperature in space

So, water in vacuum will boil first and then freeze. I don't know how the freeze happens. As pressure lowers to zero, what happened to freezing point?(I know heat taken by vapor, and the water cool ...
3
votes
2answers
103 views

How to determine what an object is composed of?

Heads up: This question has never been asked (here) before the way I will ask it here, so let's shed some light on it a bit. Prelude and anecdote(can be skipped): The other day I was walking home, ...
3
votes
1answer
66 views

Will a gas keep forever in a “perfect” flask?

I've been wondering about the porosity of materials, I know that, for example the air comes out of tires/balloons because (besides having huge gaps on the rim contact area/knot) they are made of a ...
3
votes
3answers
2k views

Does stirring water in a bucket in whirlpool keeps it warm?

I did an experiment when I was a teenager. I want to prove/see what really went on in that experiment. When taking a bath, take a warm water in bucket and start taking a bath. You will notice that ...
3
votes
2answers
516 views

Where does the Pauli Repulsive Force come from that counteracts the attraction between atoms and ions? [duplicate]

I'm learning about such things as ionic and covalent bonds, and the reason given for the ionic bonds is electrostatic attraction. However, if that were true, then the two ions would accelerate toward ...
3
votes
1answer
70 views

What methods exist for us to measure the position and momentum of atoms that make up molecules?

In this paper, Localization of an atom by homodyne measurement. A. M. Herkommer et al. Quantum Semiclass. Opt. 8 no. 1, p. 189 (1996) (paywalled). the authors are able to localize atoms using ...
3
votes
1answer
126 views

Experiment to find structure of water

Who first determined the structure of water (two hydrogen atoms stuck to an oxygen atom at approx 105 degrees), and, more importantly, how was this done?
3
votes
1answer
144 views

What's the underlying particle physics of endothermic reactions?

I don't just mean reactions that require heat to proceed, storing surplus energy in chemical bonds. I wonder about strongly endothermic reactions that suck heat out of environment. You take some ...
3
votes
0answers
191 views

Electron hopping among molecules - Marcus equation

I'm running out of professors to talk to, and I need to clarify a couple of things for the sake of making a realistic model of electron travel through a mesh. This is about calculations of electron ...
2
votes
2answers
602 views

Why is there a Global Minimum for the Morse Potential?

For Diatomic molecules, the Morse potential describes their potential energy as a function of separation distance between the two particles. My question is, what is the explanation of of the dip ...
2
votes
3answers
305 views

How do the molecules of reacting compounds proceed to form “Most Stable” molecule?

This question is a cross post from chemistry. I'm not very convinced with the answer there. So, I'm posting it here. I'm tutoring few students for Chemistry. During the course, I many times use the ...
2
votes
2answers
105 views

What are some molecules stable in outer space that are unstable under terrestrial conditions?

What are some molecules stable in outer space that are unstable under terrestrial conditions? So there are many molecules that violently react on Earth because they're too charged, have unfilled ...
2
votes
1answer
184 views

Orbital of Hydrogen molecule

does anybody here know an analytical approximation of the bonding hydrogen orbital MOLECULE? I am looking for a good approximation to this orbital, that might be in some textbooks to get an ...
2
votes
2answers
2k views

How to estimate the physical size of a molecule?

I'm reading some chemistry-related papers that employ concepts of droplet evaporation. Since I am no chemist, I am wondering: How can I estimate the actual size of a molecule, say succinic acid? An ...
2
votes
1answer
352 views

Explanation on Atomic Orbitals and Molecular Orbitals

We were reading about atomic structures and bond making and my teacher told me that when two atoms are fused or when they make bond, two orbitals are formed. 1-Bonding Molecular Orbital & 2- ...
2
votes
2answers
278 views

Origin of Electromagnetic Interactions between Molecules

What is the origin of electromagnetic interaction between molecules? Anyway, it should have some relation with atoms. Also, These electromagnetic interactions are playing a major role in different ...
2
votes
1answer
129 views

If the temperature of 2 materials are the same does that mean the molecules are vibrating at the same speed?

Pretty much what the title says. My base question is this. Assuming I take a piece of steel, and a piece of PVC plastic and I measure both their temperatures and find they are the same. I then take a ...
2
votes
1answer
30 views

Having nano-scale holes in metal, possible today?

I am considering to design a gas filtering system that is based on the size of gas molecules. Basic idea is to flow mixed gas in a long pipe, and to allow CO2 to get of pipe through nano-size holes ...
2
votes
1answer
4k views

Why is oxygen in a triplet state and what are the consequences?

From Wikipedia here and here: ''Almost all molecules encountered in daily life exist in a singlet state, but molecular oxygen is an exception.'' ''The unusual electron configuration prevents ...
2
votes
1answer
127 views

If the source of sound is vibration, why can't we “hear” a object whose molecules are vibrating?

According to our physics textbook, the source of sound is vibration. According to our chemistry textbook, substances in solid state have molecules vibrating in a fixed position. So why can't I hear my ...
2
votes
1answer
182 views

Why do some liquid metals have anomalously-high surface tension/heat of vaporization ratios?

In a didactic article, Victor Weisskopf estimated the size of molecules in a liquid from measurements of their surface tension and heat of vaporization. If atoms are exceedingly small, then only a ...
2
votes
2answers
241 views

What's the difference between two Hydrogen atoms?

If we are given two Hydrogen atoms, would the only difference between them would be their quantum state (Energy level or eigen value, and the corresponding Orbital or eigen state) and their location ...
2
votes
1answer
455 views

Theoretical treatment of Hydrogen bond?

I would like to understand how the Hydrogen bond can be described through the Schroedinger equation. I don't need numerical methods that one uses them to simulate it, rather I need its treatment from ...
2
votes
1answer
71 views

Relative weights in rotational bands of symmetric diatomic molecules

In an old paper, Ehrenfest 1931, the introduction starts off as follows: The band spectra of symmetric diatomic molecules show certain striking differences from those of asymmetric molecules. For ...
2
votes
0answers
105 views

Is the translational information all that matters, or do we need to take into account internal states?

For anyone in this community that's familiar with quantum teleportation, I need desperate help. I am currently working on my senior thesis and my goal is to teleport a molecule. Background: So in ...
1
vote
5answers
278 views

What laws (formulas) govern forces between atoms?

What laws (formulas) govern the fundamental forces of nature? For example, gravity is governed by the inverse-square law. I am thinking about how particles attract each other, but also repel. All ...
1
vote
1answer
64 views

The Molecular Hamiltonian and the avoidance of Overcounting

Whenever I see the total non-relativistic molecular Hamiltonian, $\hat{H}_{molecular} = \hat{T}_{e} + \hat{T}_{n} + \hat{V}_{ee} + \hat{V}_{nn} + \hat{V}_{en}$ I always notice that the sums ...
1
vote
2answers
60 views

Sound as a use to separate molecular structures

Sound can be a destructive force. However, could it be used to separate say the Hydrogen atom from the Oxygen atoms?
1
vote
1answer
32 views

Molecular formula of a compund [closed]

I have no idea on how to get information out of this one. A compound contains only hydrogen and nitrogen. Nitrogen makes up for 87.4% of the mass. A sample of this have a density of 0.977 g/L at ...
1
vote
1answer
57 views

Difference between photo electron spectrum and photoelectron angular distribution

I am trying to learn the Photoelectron velocity map imaging. While I was going through the article "Chem. Soc. Rev., 2009,38,2169-2177", it is said that the "photoelectron spectrum reflects the energy ...
1
vote
1answer
2k views

Electric force in DNA molecule

Given that distance between O-H and N-H bonds are 0.11 nm and How do I compute the net force exerted from Thymine and Adenine? A hint given is: Hint: To keep calculations fairly simple, yet ...