Numerically constructed internal-coordinate Hamiltonian with Eckart embedding and its application for the inversion tunneling of ammonia.

Numerically constructed internal-coordinate Hamiltonian with Eckart embedding and its application for the inversion tunneling of ammonia.

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http://www.wikidata.org/entity/Q46821966
Interpretation of the vibrational energy level structure of the astructural molecular ion H5 (+) and all of its deuterated isotopomers.Modelling non-adiabatic effects in H₃⁺: solution of the rovibrational Schrödinger equation with motion-dependent masses and mass surfaces.Numerical and exact kinetic energy operator using Eckart conditions with one or several reference geometries: Application to HONO.Rovibrational transitions of the methane-water dimer from intermolecular quantum dynamical computations.On the use of nonrigid-molecular symmetry in nuclear motion computations employing a discrete variable representation: A case study of the bending energy levels of CH5.Rovibrational quantum dynamical computations for deuterated isotopologues of the methane-water dimer.Eckart ro-vibrational Hamiltonians via the gateway Hamilton operator: Theory and practice.Complex rovibrational dynamics of the Ar·NO+ complex.A general variational approach for computing rovibrational resonances of polyatomic molecules. Application to the weakly bound H2He+ and H2⋅CO systems.Automatic differentiation method for numerical construction of the rotational-vibrational Hamiltonian as a power series in the curvilinear internal coordinates using the Eckart frame.Eckart-Sayvetz conditions revisited.
P2860

Numerically constructed internal-coordinate Hamiltonian with Eckart embedding and its application for the inversion tunneling of ammonia.

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http://www.wikidata.org/entity/Q46821966
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2013 nî lūn-bûn
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2013年の論文
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2013年学术文章
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2013年学术文章
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2013年学术文章
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name
Numerically constructed intern ...... nversion tunneling of ammonia.
@en
Numerically constructed intern ...... nversion tunneling of ammonia.
@nl
type
label
Numerically constructed intern ...... nversion tunneling of ammonia.
@en
Numerically constructed intern ...... nversion tunneling of ammonia.
@nl
prefLabel
Numerically constructed intern ...... nversion tunneling of ammonia.
@en
Numerically constructed intern ...... nversion tunneling of ammonia.
@nl
P1433
P1476
P2093
P304
P31
P356
P407
P478
P50
P577
P5875
P698
P356
P1433
P1476
Numerically constructed intern ...... inversion tunneling of ammonia
@en
P2093
P304
P31
P356
P407
P478
P50
P577
P5875
P698