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Table II. Complete basis set limit extrapolations for valence correlation contributions to electron affinities (eV) [a].

Halkier et al. A+B/l3

Martin A+B/lC

Feller A+B/Cl

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TQ

Q5

56

DTQ

TQ5

Q56

DTQ

TQ5

Q56

H

1.07834

1.08189

1.08297

1.07745

1.08778

1.08458

1.07382

1.08188

1.08214

B

0.52100

0.52406

0.52465

0.51709

0.52518

0.52465

0.51520

0.52323

0.52339

C

0.70022

0.70042

0.70047

0.69644

0.69997

0.70009

0.69202

0.69721

0.69879

N

---

---

---

---

---

---

---

---

---

O

1.99387

1.99306

1.99391

2.03687

1.99034

1.99321

1.99095

1.97966

1.98747

F

2.12556

2.11895

2.11864

2.20763

2.11058

2.11731

2.15322

2.10414

2.11207

Al

0.40385

0.40219

---

0.39990

0.39885

---

0.39797

0.39997

---

Si

0.46248

0.46046

---

0.45734

0.45672

---

0.45269

0.45675

---

P

1.20355

1.19166

---

1.20887

1.17356

---

1.18412

1.17749

---

S

1.19947

1.18400

---

1.24532

1.16889

---

1.21649

1.16716

---

Cl

1.15231

1.13398

---

1.27950

1.11802

---

1.66795

1.11438

---

Mean. Sgn. Error [b]

0.0042

-0.0008

0.0004

0.0328

-0.0068

0.0003

0.0546

-0.0096

-0.0029

Mean. Abs. Error [b]

0.0063

0.0018

0.0011

0.0373

0.0078

0.0013

0.0653

0.0096

0.0029

No extrapolation

A+B/(l+1/2)4+C/(l+1/2)6 [c]

A + B exp[-(l-1)] + C exp[-(l-1)2] [d]

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Q

5

6

DTQ

TQ5

Q56

DTQ

TQ5

Q56

H

1.07023

1.07592

1.07889

1.07731

1.08261

1.08305

1.07617

1.07925

1.08062

B

0.51191

0.51784

0.52071

0.51873

0.52456

0.52448

0.51826

0.52131

0.52238

C

0.68680

0.69344

0.69641

0.69749

0.69967

0.70002

0.69634

0.69731

0.69813

N

---

---

---

---

---

---

---

---

---

O

1.93908

1.96543

1.97743

2.00302

1.98945

1.99239

1.98349

1.98074

1.98441

F

2.06733

2.09252

2.10353

2.14066

2.11313

2.11669

2.11597

2.10714

2.10993

Al

0.39513

0.39857

---

0.40100

0.40108

---

0.40105

0.40057

---

Si

0.44791

0.45404

---

0.45780

0.45888

---

0.45782

0.45759

---

P

1.14764

1.16912

---

1.20637

1.18416

---

1.19121

1.18155

---

S

1.13267

1.15772

---

1.21485

1.17461

---

1.18794

1.17221

---

Cl

1.07448

1.10352

---

1.18290

1.12293

---

1.14227

1.12030

---

Mean. Sgn. Error [b]

-0.0325

-0.0170

-0.0083

0.0102

-0.0047

-0.0004

-0.0028

-0.0080

-0.0046

Mean. Abs. Error [b]

0.0325

0.0170

0.0083

0.0139

0.0047

0.0011

0.0044

0.0080

0.0046

a) Here only the aug-cc-pVnZ series was used.

b) Relative to Expt.-all contributions other than valence correlation (from Table I)

c) Originally proposed by J. M. L. Martin, Chem. Phys. Lett. 259, 669 (1996)

d) Originally proposed by K. A. Peterson, D. E. Woon, and T. H. Dunning, Jr., J. Chem. Phys. 100, 7410 (1994)