Molecular Hamiltonian

Results: 50



#Item
21Theoretical chemistry / Quantum chemistry / Time-dependent density functional theory / Density functional theory / Molecular Hamiltonian / Electronic band structure / Basis set / Ab initio quantum chemistry methods / Molecular dynamics / Chemistry / Physics / Computational chemistry

Chemical Physics[removed]–77 Contents lists available at ScienceDirect Chemical Physics journal homepage: www.elsevier.com/locate/chemphys

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Source URL: yangtze.hku.hk

Language: English - Date: 2012-07-06 05:48:56
22Atomic physics / Molecular physics / Quantum chemistry / Rotation / Energy level / Stark effect / Rotational spectroscopy / Molecular Hamiltonian / Dipole / Chemistry / Physics / Spectroscopy

Version 18.3: May 26, 2006 Experimental and theoretical investigation of the Stark effect for trapping cold molecules: application to nitric oxide Bryan J. Bichsel, Michael A. Morrison,∗ Neil Shafer-Ray, and E. R. I.

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Source URL: www.nhn.ou.edu

Language: English - Date: 2006-08-16 16:03:12
23Computational chemistry / Classical mechanics / Quantum chemistry / Symplectic geometry / Quantum harmonic oscillator / Molecular dynamics / Partition function / Hamiltonian / Nosé–Hoover thermostat / Physics / Chemistry / Quantum mechanics

week ending 22 JUNE 2012 PHYSICAL REVIEW LETTERS PRL 108, [removed])

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Source URL: www.physik.uni-augsburg.de

Language: English - Date: 2012-06-26 04:37:23
24Atomic nucleus / Force / Quantum mechanics / Strong interaction / Nucleon / Introduction to quantum mechanics / Magic number / Radioactive decay / Molecular Hamiltonian / Physics / Nuclear physics / Semi-empirical mass formula

return to updates MAGIC NUMBERS in the Periodic Table and the SEMF

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Source URL: milesmathis.com

Language: English - Date: 2013-08-14 23:43:01
25Molecular biology / Chemistry / Genetics / Hamiltonian / Nucleic acid sequence / FO / DNA / Biology / Theoretical computer science

SMT-Based Analysis of Biological Computation Boyan Yordanov, Christoph M. Wintersteiger, Youssef Hamadi, and Hillel Kugler Microsoft Research, Cambridge UK {yordanov,cwinter,youssefh,hkugler}@microsoft.com http://researc

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Source URL: www.winterstiger.at

Language: English - Date: 2013-07-20 10:56:46
26Dynamical systems / Classical mechanics / Ergodic theory / Hamiltonian vector field / Physics / Symplectic geometry / Hamiltonian mechanics

SANDIA REPORT[removed]Unlimited Release Printed April, 2009 Hamiltonian Molecular Dynamics for

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Source URL: www.math.umbc.edu

Language: English - Date: 2010-07-26 10:33:02
27Molecular physics / Theoretical chemistry / Computational chemistry / Quantum chemistry / Waves / Nuclear magnetic resonance / Molecular orbital / Resonance / Chemistry / Science / Physics

Chemistry 5 – Fall, 2012 – Prof. Tobias Homework Assignment 10 All problems should be completed in a Mathematica notebook named hw10.nb. 1. The Hamiltonian matrix in the Hückel model for the conjugated π system in

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Source URL: eee.uci.edu

Language: English - Date: 2012-12-03 13:58:04
28Rotation / Rigid bodies / Quantum mechanics / Molecular physics / Quantum chemistry / Rigid rotor / Eigenvalues and eigenvectors / Diatomic molecule / Hamiltonian / Physics / Chemistry / Algebra

Draft 1.0 R.M.Dimeo[removed]DIATOMIC RIGID ROTOR CALCULATOR A utility in DAVE under the HINDERED ROTOR CALCULATOR menu item called

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Source URL: www.ncnr.nist.gov

Language: English - Date: 2002-06-25 14:11:36
29Quantum mechanics / Quantum chemistry / Molecular physics / Operator theory / Mathematical physics / Rigid rotor / Eigenvalues and eigenvectors / Hamiltonian / Schrödinger equation / Physics / Algebra / Chemistry

Draft 1.0 R.M.Dimeo[removed]D RIGID ROTOR CALCULATOR A utility in DAVE under the HINDERED ROTOR CALCULATOR menu item called

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Source URL: www.ncnr.nist.gov

Language: English - Date: 2002-06-25 14:11:37
30Science / Quantum mechanics / Computational chemistry / Theoretical chemistry / Molecular Hamiltonian / Born–Oppenheimer approximation / Density functional theory / Schrödinger equation / Crystal / Chemistry / Physics / Quantum chemistry

Ab initio computational methods for the prediction of stability, structure and properties of minerals at high pressure and high temperature conditions Mauro Prencipe Dip. Scienze Mineralogiche e Petrologiche – Universi

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Source URL: speakerd.s3.amazonaws.com

Language: English - Date: 2014-06-04 10:41:22
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