1997
DOI: 10.1063/1.168593
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Getting started with Numerov’s method

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Cited by 129 publications
(44 citation statements)
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“…The e e , ␣ e , B e , and D 0 results also approve that the aug-cc-pV5Z basis set is the most suitable one for further calculations when compared with the experimental findings [24, 26 -28]. And finally, using the APEF obtained at the UCCSD(T)/aug-ccpV5Z level of theory, the radial Schrö dinger equation of nuclear motion is numerically solved with the Numerov method [23] to predict all the vibrational states. All the energy levels and corresponding classical turning points, R min and R max , and the inertial rotation and centrifugal distortion constants are determined when J ϭ 0.…”
Section: Methodsmentioning
confidence: 95%
See 1 more Smart Citation
“…The e e , ␣ e , B e , and D 0 results also approve that the aug-cc-pV5Z basis set is the most suitable one for further calculations when compared with the experimental findings [24, 26 -28]. And finally, using the APEF obtained at the UCCSD(T)/aug-ccpV5Z level of theory, the radial Schrö dinger equation of nuclear motion is numerically solved with the Numerov method [23] to predict all the vibrational states. All the energy levels and corresponding classical turning points, R min and R max , and the inertial rotation and centrifugal distortion constants are determined when J ϭ 0.…”
Section: Methodsmentioning
confidence: 95%
“…We use the Numerov method [23] with the automatic step-size selection to solve Eq. (10) numerically and have obtained a total of 26 vibrational states for the HCl ϩ (X 2 ⌸) ion when the rotational quantum number J is set equal to zero.…”
Section: Vibrational Manifoldsmentioning
confidence: 99%
“…In this paper, we solve the rovibrational Schrödinger equation by Numerov's method. 35 That is, the rovibrational constants are first determined in a direct forward manner from the analytic potential by solving the rovibrational Schrödinger equation and then the spectroscopic parameters are evaluated by fitting the vibrational levels obtained here.…”
Section: Theory and Methodsmentioning
confidence: 99%
“…The transmission coefficient is obtained by numerically solving the Schr€ odinger equation using the Numerov method. 53,54 This method is computationally efficient and accurate and does not require any simplifying assumptions about the shape of the barrier potential profile. The method is also numerically robust enabling the modeling of the steep current rises originating from resonance phenomena.…”
Section: A Tsu-esaki Methodsmentioning
confidence: 99%