[Maleficus187]

Hi so I am a senior chem major with a math minor. I need to fill out my math minor with an elective or two. I want to do electronic structure theory as a graduate. I have a huge interest in quantum mechanics. So basically Ill have intro to lin algebra and calc 1-2 done by next semester, but I am unsure what electives to take. I will be taking calc 3 next semester, but otherwise I am looking into what would be the most useful/applicable to what I want to do. My options are Intro to Abstract Algebra, Fundamental Properties of Spaces and Functions, Elementary Numerical Analysis, Ordinary Diff Eq, and Matrix Theory. Any advice? I'm leaning towards matrix theory. I am extremely passionate of quantum chemistry/mechanics and thinking this may be of very good use.

[Jorriss]

Hi so I am a senior chem major with a math minor. I need to fill out my math minor with an elective or two. I want to do electronic structure theory as a graduate. I have a huge interest in quantum mechanics. So basically Ill have intro to lin algebra and calc 1-2 done by next semester, but I am unsure what electives to take. I will be taking calc 3 next semester, but otherwise I am looking into what would be the most useful/applicable to what I want to do. My options are Intro to Abstract Algebra, Fundamental Properties of Spaces and Functions, Elementary Numerical Analysis, Ordinary Diff Eq, and Matrix Theory. Any advice? I'm leaning towards matrix theory. I am extremely passionate of quantum chemistry/mechanics and thinking this may be of very good use.

What is "Fundamental Properties..?"

Numerical analysis and Matrix theory will both be very, very useful. Can't really miss with those two.

[Maleficus187]

"This course starts with a discussion of the real number system, especially the completeness axiom, covers convergence of sequences, and explains the basic theory underlying the differential and integral calculus. Particular attention is given to solving problems and writing proofs" from the description given by the university for Fundamental Properties of Spaces and Functions. Basically from what I understand it is a proofs course, mainly. But my thought is that it might cover Gaussian space, which is used in DFT correct? I don't know how useful it may or may not be.

Thank you for your reply. I am looking forward to Matrix Theory as I am really enjoying intro to linear algebra currently.

[Jorriss]

"This course starts with a discussion of the real number system, especially the completeness axiom, covers convergence of sequences, and explains the basic theory underlying the differential and integral calculus. Particular attention is given to solving problems and writing proofs" from the description given by the university for Fundamental Properties of Spaces and Functions. Basically from what I understand it is a proofs course, mainly. But my thought is that it might cover Gaussian space, which is used in DFT correct? I don't know how useful it may or may not be.

Oh. That course is generally called real analysis. And, if you are looking for something that is directly applicable to applied chemistry problems, that is about the farthest you can get from useful (other than the fact it is very challenging and makes one think very hard).

I don't know what Gaussian space is but it will almost 100% certainty not be covered in that course.

[Maleficus187]

Thanks Jorriss. I have another question too which maybe you can help with, or anyone else, advice from multiple sources is always appreciated.

I recently had to drop the inorganic lab class due to a heavy class load which would of caused me to fail my world language requirement. Long story short I was a transfer student after getting an AA and had to take the Physical chem and inorganic chem lab classes at the same time, along with my second year foreign language requirement, and two other classes. Five classes and two of them being upper level labs was too much so wanting to do theoretical/computational it was obvious I should drop the inorganic lab and keep the physical lab, even though I was doing better in the inorganic lab.

So to graduate at the end of this year, I will have to get a BA instead of a BS, but will be only one class short of the BS so my adviser suggested going for the BA instead as it wouldn't make much difference in grad school applications. I know schools generally have an ACS certified degree which is recommended for those going to graduate school, which is the BS at my university. If I were to still go for the BS it would take me another semester so I would graduate after Fall 2013 semester, but I could also get a BA in Math+Chem major (my university offers a bunch of multidisciplinary math degrees with Math&Comp Sci, Math&Biology, etc.). Also most of the universities I am looking at for grad school do not accept grads mid school year, so it would take another year before I could start grad school. Basically should I go BA in chem, minor in math and graduate Spring 2013, or BS in chem BA in Math&Chem and graduate Fall 2013 but not start grad school till Fall 2014? Concerning the money of going another semester, I'm a broke college student like MOST undergrads and no one to help support me, so the money is an issue to me, but only in that it's just more debt to pay off once I am done. If it helps, I am looking into competitive schools like Northwestern and U Chicago as my top 2 picks and my overall and major GPA are both 3.5. Worth my time to get the BS or will the BA do?

Lastly, I still have the Analytical lab to take, but if I only go for the BA in chem, it is not a requirement for that degree as only one upper level lab is required. Wanting to do Computational/Theoretical, would it be better to skip the analytic lab and take extra math and/or Statistical Thermo I (which I believe is often one of the first grad classes a physical chemist takes correct?) which may be helpful to me in graduate school or just give me a leg up on the competition, or should I still take the analytic lab so my BA would only be 1 class short of the BS rather than 2 classes?

[curiouscat]

Some DFT codes use a Gaussian basis set. Don't know about Gaussian spaces.