A new, fully ab initio investigation of the ArNO(X 2Π) system.: II.: Bound states of the Ar-NO complex

被引：41

作者：

Alexander, MH ^{[1
]}

机构：

[1] Univ Maryland, Dept Chem & Biochem, College Pk, MD 20742 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 1999年 / 111卷 / 16期

关键词：

D O I：

10.1063/1.480067

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We report an investigation of bound states of the ArNO complex, based on new coupled-cluster [CCSD(T)] ab initio potential energy surfaces. The position and relative spacing of the lowest bend-stretch levels of the complex are found to be in noticeable better agreement with available experimental results than the predictions based on earlier ArNO PES's. (C) 1999 American Institute of Physics. [S0021-9606(99)30238-5].

引用

页码：7435 / 7439

页数：5

共 51 条

[1] A new, fully ab initio investigation of the NO(X 2Π)Ar system.: I.: Potential energy surfaces and inelastic scattering [J].

Alexander, MH .

JOURNAL OF CHEMICAL PHYSICS, 1999, 111 (16) :7426-7434

[2] POTENTIAL-ENERGY SURFACES FOR THE INTERACTION OF BH(X (1)SIGMA(+),A (1)PI) WITH AR AND A THEORETICAL INVESTIGATION OF THE STRETCH-BEND LEVELS OF THE ARBH(A) VAN-DER-WAALS MOLECULE [J].

ALEXANDER, MH ;

GREGURICK, S ;

DAGDIGIAN, PJ .

JOURNAL OF CHEMICAL PHYSICS, 1994, 101 (04) :2887-2902

[3] POTENTIAL-ENERGY SURFACES FOR THE INTERACTION OF CH(X (2)PI,B (2)SIGMA(-)) WITH AR AND AN ASSIGNMENT OF THE STRETCH-BEND LEVELS OF THE ARCH(B) VAN-DER-WAALS MOLECULE [J].

ALEXANDER, MH ;

GREGURICK, S ;

DAGDIGIAN, PJ ;

LEMIRE, GW ;

MCQUAID, MJ ;

SAUSA, RC .

JOURNAL OF CHEMICAL PHYSICS, 1994, 101 (06) :4547-4560

[4] QUANTUM TREATMENT OF ROTATIONALLY INELASTIC-COLLISIONS INVOLVING MOLECULES IN PI-ELECTRONIC STATES - NEW DERIVATION OF THE COUPLING POTENTIAL [J].

ALEXANDER, MH .

CHEMICAL PHYSICS, 1985, 92 (2-3) :337-344

[5] ROTATIONALLY INELASTIC-COLLISIONS BETWEEN A DIATOMIC MOLECULE IN A 2-PI ELECTRONIC STATE AND A STRUCTURELESS TARGET [J].

ALEXANDER, MH .

JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (12) :5974-5988

[6] DIFFERENTIAL AND INTEGRAL CROSS-SECTIONS FOR THE INELASTIC-SCATTERING OF NO (X(2)PI) BY AR BASED ON A NEW AB-INITIO POTENTIAL-ENERGY SURFACE [J].

ALEXANDER, MH .

JOURNAL OF CHEMICAL PHYSICS, 1993, 99 (10) :7725-7738

[7] RESOLUTION OF INTERFERENCE EFFECTS IN THE ROTATIONAL-EXCITATION OF NO (N=O) BY AR [J].

ANDRESEN, P ;

JOSWIG, H ;

PAULY, H ;

SCHINKE, R .

JOURNAL OF CHEMICAL PHYSICS, 1982, 77 (04) :2204-2205

[8]

BEILER CR, 1995, CHEM PHYS LETT, V235, P175

[9]

Brink D.M., 1968, Angular Momentum, V2nd

[10] LABELING OF PARITY DOUBLET LEVELS IN LINEAR MOLECULES [J].

BROWN, JM ;

HOUGEN, JT ;

HUBER, KP ;

JOHNS, JWC ;

KOPP, I ;

LEFEBVREBRION, H ;

MERER, AJ ;

RAMSAY, DA ;

ROSTAS, J ;

ZARE, RN .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1975, 55 (1-3) :500-503

← 1 2 3 4 5 6 →