About: Accurate ab initio based multisheeted double many-body expansion potential energy surface for the three lowest electronic singlet states of H3+

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scientific article published on 01 February 2007

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rdf:type	Item
description	wetenschappelijk artikel (nl) наукова стаття, опублікована в лютому 2007 (uk) im Februar 2007 veröffentlichter wissenschaftlicher Artikel (de) artículu científicu espublizáu en febreru de 2007 (ast) artikull shkencor i botuar më 01 shkurt 2007 (sq) scientific article published on 01 February 2007 (en)
publication date	wds:Q57966455-EF03C198-70EF-4361-87AD-027FE4B58551
publication date	2007-02-01 00:00:00Z (xsd:dateTime)
language of work or name	wds:Q57966455-84B3F4B8-F4DE-4035-B681-0852E661E3BC
language of work or name	English
cites work	wds:Q57966455-18E4C246-FA63-4091-9E76-6284635570B3 wds:Q57966455-1D865B94-A768-4C71-B029-8B199ED2EBEE wds:Q57966455-21245105-C9BA-4877-B0A6-D8021CD3B6CB wds:Q57966455-2AB3A113-3753-4A1D-9EEE-812994D3D2C8 wds:Q57966455-49E3B27C-7449-472D-BEDE-73C9C82EA588 wds:Q57966455-58A42222-A22B-4655-A866-12716C9E185F wds:Q57966455-866BF371-A195-4057-9E3A-94C905B3E25A wds:Q57966455-89891468-55F1-4549-86E2-48D36E0E018D wds:Q57966455-93078016-986B-4A0D-B51B-F4B9FDE58415 wds:Q57966455-978EEE01-4CD2-455B-B91B-A5C9DFAE03BC wds:Q57966455-B1209E04-302A-42F2-8C8F-9DFEE0603DB5 wds:Q57966455-BDB9736C-9407-4EB9-9214-314EF4E02E5D wds:Q57966455-CA81F97A-507E-4F20-AF6E-7E7E1121D3C6 wds:Q57966455-D6C6E1AE-3CE0-4714-875F-FD77C5CDF58B
cites work	Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen Bound Ro-Vibronic States of TripletH3+ Accurate double many-body expansion potential energy surface for triplet H[sub 3][sup +]. I. The lowest adiabatic sheet (a[sup 3]Σ[sub u][sup +]) Single-Valued DMBE Potential Energy Surface for HSO: A Distributedn-Body Polynomial Approach A realistic multi-sheeted potential energy surface for NO2(2A′) from the double many-body expansion method and a novel multiple energy-switching scheme H3+ towards and within the Galactic centre. Ro-vibrational states of triplet H3+ (a3Σu+): The lowest 19 bands Potential model for diatomic molecules including the united-atom limit and its use in a multiproperty fit for argon A novel accurate representation of a double-valued potential energy surface by the DMBE method. Application to triplet H3+() Explicitly correlated potential energy surface of H3+, including relativistic and adiabatic corrections. A global potential energy surface for the H3+ molecule Symmetry Analysis of the Vibronic States in the Upper Conical Potential (23A‘) of Triplet Properties of high-lying vibrational states of the molecular ion An accurate, global, ab initio potential energy surface for the H + 3 molecule
author name string	wds:Q57966455-BDEF093A-3CDB-4B85-8A50-CA72665F70B0
author name string	António J. C. Varandas
rdfs:label	Accurate ab initio based multisheeted double many-body expansion potential energy surface for the three lowest electronic singlet states of H3+ (en) Accurate ab initio based multisheeted double many-body expansion potential energy surface for the three lowest electronic singlet states of H3+ (nl) Accurate ab initio based multisheeted double many-body expansion potential energy surface for the three lowest electronic singlet states of H3+ (sq)
skos:prefLabel	Accurate ab initio based multisheeted double many-body expansion potential energy surface for the three lowest electronic singlet states of H3+ (en) Accurate ab initio based multisheeted double many-body expansion potential energy surface for the three lowest electronic singlet states of H3+ (nl) Accurate ab initio based multisheeted double many-body expansion potential energy surface for the three lowest electronic singlet states of H3+ (sq)
name	Accurate ab initio based multisheeted double many-body expansion potential energy surface for the three lowest electronic singlet states of H3+ (en) Accurate ab initio based multisheeted double many-body expansion potential energy surface for the three lowest electronic singlet states of H3+ (nl) Accurate ab initio based multisheeted double many-body expansion potential energy surface for the three lowest electronic singlet states of H3+ (sq)
author	wds:Q57966455-602C7E3B-5BA8-483D-8F14-16F8C9241217 wds:Q57966455-76184D7D-A282-4283-9A7C-18416409DCD2 wds:Q57966455-7DC73254-2747-4C25-B91C-30FADAD03BC0
author	Alexander Alijah António Varandas Luís P Viegas
title	wds:Q57966455-109E15B1-E8DA-4A58-AF50-9C3876C9FA9C
title	Accurate ab initio based multisheeted double many-body expansion potential energy surface for the three lowest electronic singlet states of H3+ (en)
page(s)	wds:Q57966455-20E460D5-F2AC-4B65-ABC3-B3BDEE8F5582
page(s)	074309
instance of	wds:Q57966455-79070483-932A-4525-B4E1-C639BDCA6DBB
instance of	scholarly article
main subject	wds:Q57966455-4F04396B-7A7F-4BD7-B57D-B49F12CC36BA
main subject	potential energy
PubMed ID	wds:Q57966455-CA3CF439-36A5-4190-8192-11762D7D9617
PubMed ID	http://rdf.ncbi.nlm.nih.gov/pubchem/reference/17328607
PubMed ID	17328607
published in	wds:Q57966455-B593DF4E-DDFF-4C66-8129-B8EE3CCC5056
published in	Journal of Chemical Physics
issue	wds:Q57966455-20A30170-3CC5-4AF1-AF6F-FFA2FA2B2EA7
volume	wds:Q57966455-F17CC5F0-B900-4420-BC1D-9C5F7DA8170F
issue	7
volume	126
DOI	wds:Q57966455-237CB00E-CC8B-4EB3-895D-D0EE7EC1D097
DOI	http://dx.doi.org/10.1063/1.2566770
DOI	10.1063/1.2566770
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q57966455
is cites work of	Precision Measurements and Computations of Transition Energies in Rotationally Cold Triatomic Hydrogen Ions up to the Midvisible Spectral Range Rovibrational energy levels of H3(+) with energies above the barrier to linearity Cold and ultracold dynamics of the barrierless D(+) + H2 reaction: Quantum reactive calculations for ∼R(-4) long range interaction potentials. Effects of the rotational excitation of D2 and of the potential energy surface on the H++D2→HD+D+ reaction Combined-hyperbolic-inverse-power-representation of potential energy surfaces: a preliminary assessment for H3 and HO2. N(4S /2D)+N2: Accurate ab initio-based DMBE potential energy surfaces and surface-hopping dynamics Low-temperature D(+) + H2 reaction: a time-dependent coupled wave-packet study in hyperspherical coordinates. Beyond Born-Oppenheimer theory for ab initio constructed diabatic potential energy surfaces of singlet H3+ to study reaction dynamics using coupled 3D time-dependent wave-packet approach. The Jahn-Teller plus pseudo-Jahn-Teller vibronic problem in the C3 radical and its topological implications. Finite temperature quantum statistics of H3+ molecular ion Calibration-quality adiabatic potential energy surfaces for H3(+) and its isotopologues. Spectroscopy of H3+ based on a new high-accuracy global potential energy surface. QED correction forH3+ Laser-induced dissociation dynamics of triatomic molecule in electronic excited states: A full-dimensional quantum mechanics study Resonant states of H3+ and D2H+ Progress in calculating the potential energy surface of H3+. 3D time-dependent wave-packet approach in hyperspherical coordinates for the H + O2 reaction on the CHIPR and DMBE IV potential energy surfaces. Ortho–para-H2conversion processes in astrophysical media Global analytical ab initio ground-state potential energy surface for the C((1)D)+H2 reactive system. Non-adiabatic couplings and dynamics in proton transfer reactions of Hn (+) systems: Application to H2+H2 (+)→H+H3 (+) collisions. Full dimensional potential energy surface for the ground state of H4(+) system based on triatomic-in-molecules formalism State-to-state dynamics of the H()(n) + HD → D()(n') + H2 reactive scattering. Theoretical study of isotope effects on the stereodynamics of H⁺+HD and its isotopic variant D⁺+HD

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