Flashcards
4QM lectures
Cards in this deck (28)
- 1how would you describe Q state?the state of a system is fully described by a wavefunction:(note ksi is also known as a probability amplitude)
- 2how would you describe positions of set of particles n?
- 3what is ?the time dependent wave function, probability amplitude:
- 4scope of Q.M:1. molecular electronic structure and properties
2. nuclear motions- vibrational and rotational motions
3. chemical reactivity- quantum dynamics - 5probability density
- 6write time dependent S.E and sketch the process of separation form time
- 7—
- 8electronic and nuclear Laplacian in lecture nomenclature
- 9Hamil for H and poloiatomic
- 10Why do we use Hartree units?
- 11What does the imply? what is r and what R?R list of nuclear coordinates, r list of electronic coordinates, both matrices (bold), r is variable in the eq. R is parameter (is fixed for a particular calculation)
- 12Describe significance of Born Oppeinheimer apporox, and separation what it allows to make
- 13Describe the S.E separation due to Born Oppeinheimer approx (for electrons and nuclei)
- 14Write spin up wave function:
- 15An electron with spin up and down at point (x1,y1,z1) can be written as:
- 16Describe spin experiment
- 17slater DeterminantThe wave function is written in terms of principal diagonal, implies normalisation
- 18How to construct wave functions for many electron system?
- 19What does it mean? and how to read it?
- 20variation principle proof
- 21what df of expectation principle and E.P for EQ.M. predicts the statistical mean of variables- known as expectation variables
- 22what is kronecker delta? and what's are the important consequences?
- 23proof that :
- 24STO good and bad points
- 25GTO good and bad points
- 26GTO genaral and 3d and 2p, where alpha from?
- 27AOs form
- 28—
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- 4 QM Flashcards on 4QM lectures, created by Magda Sroka on 14/10/2016.
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- Magda Sroka
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