Wednesday, September 29, 2021

Hartree-Fock Ab Initio Treatment of Crystalline Systems

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Ab Initio Calculations: Methods and Applications in Chemistry

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  Chemistry ...
Thursday, September 23, 2021

Numerical Treatment of Schrödinger’s Equation for One-Particle and Two-Particle Systems Using Matrix Method and Two-Particle Systems Using Matrix Method

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  Spatika Dashar ati Iy engar     ABSTRACT   With an increased interest in accurately predicting aerothermal environments for planetary entr...

Discovery of a General Method of Solving theSchr€odinger and Dirac Equations That Opens aWay to Accurately Predictive Quantum Chemistry

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  HIROSHI NAKATSUJI*   RECEIVED ON DECEMBER 30, 2011   J ust as Newtonian law governs classical physics, the Schr € odinger equation (SE) an...

Free iterative-complement-interaction calculations of the hydrogen molecule

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  Yusaku Kurokawa, 1 Hiroyuki Nakashima, 1 and Hiroshi Nakatsuji 1,2     Received 26 June 2005; published 13 December 2005     The free iter...

Solving the Schrödinger equation for helium atom and its isoelectronic ions with the free iterative complementinteraction (ICI) method

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  Hiroyuki Nakashima and Hiroshi Nakatsuji Received 31 July 2007; accepted 2 October 2007; published online 11 December 2007     The Schrö...

The Schrödinger Equation with Coulomb Potential Admits no Exact Solutions

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ABSTRACT   We prove that the Schrödinger equation with the electrostatic potential energy expressed by the Coulomb potential does not admit ...

Inverse Schro ̈dinger equation and the exact wave function

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  Hiroshi Nakatsuji     Received 17 December 2001; published 10 May 2002     Using the inverse of the Hamiltonian, we introduce the inverse ...

The Hydrogen Atom

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  Introduction   This section of the Study Guide is intended to supplement the study of the hydrogen atom in an introductory quantum mec...